5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline

C105H131ClN24O5Si2 — CID 157284245

IUPAC5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline
SMILESCN(C)CCNC(=O)c1nc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C.CN(C)CCNC(=O)c1nc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C.CN(C)CCNC(=O)c1nc2ccc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)cc2[nH]1.Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C37H48N8O2Si.C31H34N8O.C26H33ClN6O2Si.C11H16N2/c1-43(2)19-16-39-37(46)36-42-34-22-28(10-13-35(34)45(36)26-47-20-21-48(3,4)5)32-23-33(30-24-38-15-14-31(30)41-32)40-29-11-8-27(9-12-29)25-44-17-6-7-18-44;1-38(2)16-13-33-31(40)30-36-26-10-7-22(17-29(26)37-30)27-18-28(24-19-32-12-11-25(24)35-27)34-23-8-5-21(6-9-23)20-39-14-3-4-15-39;1-32(2)11-10-29-26(34)25-31-23-14-18(22-15-20(27)19-16-28-9-8-21(19)30-22)6-7-24(23)33(25)17-35-12-13-36(3,4)5;12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h8-15,22-24H,6-7,16-21,25-26H2,1-5H3,(H,39,46)(H,40,41);5-12,17-19H,3-4,13-16,20H2,1-2H3,(H,33,40)(H,34,35)(H,36,37);6-9,14-16H,10-13,17H2,1-5H3,(H,29,34);3-6H,1-2,7-9,12H2
InChIKeyBAANXWHGLXUQET-UHFFFAOYSA-N
MW1900.99 g/mol
LogP18.16
Rot. Bonds35

About 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline

5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 157284245) has the molecular formula C105H131ClN24O5Si2 and a molecular weight of 1900.99 g/mol. Its IUPAC name is 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound Name5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID157284245
Molecular FormulaC105H131ClN24O5Si2
Molecular Weight1900.99 g/mol
Exact Mass1899.00
IUPAC Name5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline
SMILESCN(C)CCNC(=O)c1nc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C.CN(C)CCNC(=O)c1nc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C.CN(C)CCNC(=O)c1nc2ccc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)cc2[nH]1.Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C37H48N8O2Si.C31H34N8O.C26H33ClN6O2Si.C11H16N2/c1-43(2)19-16-39-37(46)36-42-34-22-28(10-13-35(34)45(36)26-47-20-21-48(3,4)5)32-23-33(30-24-38-15-14-31(30)41-32)40-29-11-8-27(9-12-29)25-44-17-6-7-18-44;1-38(2)16-13-33-31(40)30-36-26-10-7-22(17-29(26)37-30)27-18-28(24-19-32-12-11-25(24)35-27)34-23-8-5-21(6-9-23)20-39-14-3-4-15-39;1-32(2)11-10-29-26(34)25-31-23-14-18(22-15-20(27)19-16-28-9-8-21(19)30-22)6-7-24(23)33(25)17-35-12-13-36(3,4)5;12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h8-15,22-24H,6-7,16-21,25-26H2,1-5H3,(H,39,46)(H,40,41);5-12,17-19H,3-4,13-16,20H2,1-2H3,(H,33,40)(H,34,35)(H,36,37);6-9,14-16H,10-13,17H2,1-5H3,(H,29,34);3-6H,1-2,7-9,12H2
InChIKeyBAANXWHGLXUQET-UHFFFAOYSA-N
XLogP18.16
TPSA316.94 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.99
LogP ≤ 518.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline with MolForge

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Related Compounds

4-[(3-aminophenyl)-difluoromethyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[difluoro-[7-(hydroxymethyl)-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;N-[3-[difluoro-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide;methane;methanol;prop-2-enoyl chloride
CID 157997961
CID 165038859
CID 165038859
[(5R)-2-[2-[(5S)-3-[7-chloro-2-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-3H-benzimidazol-5-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-7-methyl-3H-benzimidazol-5-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(4-methyl-1H-benzimidazol-2-yl)methanone
CID 177022129
2-(benzimidazol-1-yl)-7-[(5S)-5-[2-(benzimidazol-1-yl)-7-[6-[[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]methyl]-2-pyridinyl]-8-oxopurin-9-yl]-5,6,7,8-tetrahydroquinolin-8-yl]-9-[(6-chloro-3-pyridinyl)methyl]purin-8-one
CID 143306741
5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453959
N-(3-piperidin-1-ylpropyl)-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453960
5-(4-chloro-1,6-naphthyridin-2-yl)-N-(3-piperidin-1-ylpropyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453970
5-(4-chloro-1,6-naphthyridin-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453979
5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453981
N-[3-(4-methylpiperazin-1-yl)propyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453988
Tert-butyl 4-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate
CID 153453991
Tert-butyl 4-[5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperazine-1-carboxylate
CID 153453992

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline (CID 157284245) is 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline is CN(C)CCNC(=O)c1nc2cc(-c3cc(Cl)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C.CN(C)CCNC(=O)c1nc2cc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)ccc2n1COCC[Si](C)(C)C.CN(C)CCNC(=O)c1nc2ccc(-c3cc(Nc4ccc(CN5CCCC5)cc4)c4cnccc4n3)cc2[nH]1.Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is BAANXWHGLXUQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N8O2Si.C31H34N8O.C26H33ClN6O2Si.C11H16N2/c1-43(2)19-16-39-37(46)36-42-34-22-28(10-13-35(34)45(36)26-47-20-21-48(3,4)5)32-23-33(30-24-38-15-14-31(30)41-32)40-29-11-8-27(9-12-29)25-44-17-6-7-18-44;1-38(2)16-13-33-31(40)30-36-26-10-7-22(17-29(26)37-30)27-18-28(24-19-32-12-11-25(24)35-27)34-23-8-5-21(6-9-23)20-39-14-3-4-15-39;1-32(2)11-10-29-26(34)25-31-23-14-18(22-15-20(27)19-16-28-9-8-21(19)30-22)6-7-24(23)33(25)17-35-12-13-36(3,4)5;12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h8-15,22-24H,6-7,16-21,25-26H2,1-5H3,(H,39,46)(H,40,41);5-12,17-19H,3-4,13-16,20H2,1-2H3,(H,33,40)(H,34,35)(H,36,37);6-9,14-16H,10-13,17H2,1-5H3,(H,29,34);3-6H,1-2,7-9,12H2.
What are the key properties of 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline?
5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 1900.99 g/mol, XLogP of 18.16, 35 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,6-naphthyridin-2-yl)-N-[2-(dimethylamino)ethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1H-benzimidazole-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-[4-[4-(pyrrolidin-1-ylmethyl)anilino]-1,6-naphthyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide;4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 157284245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).