N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate

C79H80N22O8 — CID 160501181

IUPACN-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cc(OC)ccn3)cc(-n3cnc(C(=O)NC(C)(C)C)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(C(C)c4ccccn4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)N[C@@H](C)c4ccccc4)c3)cc2[nH]1
InChIInChI=1S/C28H27N7O2.C27H25N7O3.C24H28N8O3/c1-4-29-28(37)34-27-32-24-15-20(14-21(26(24)33-27)23-10-6-8-12-31-23)19-13-17(2)35(25(36)16-19)18(3)22-9-5-7-11-30-22;1-3-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)21-11-7-8-12-28-21)34-15-23(29-16-34)25(35)30-17(2)18-9-5-4-6-10-18;1-6-25-23(34)30-22-28-18-10-14(32-12-19(27-13-32)21(33)31-24(2,3)4)9-16(20(18)29-22)17-11-15(35-5)7-8-26-17/h5-16,18H,4H2,1-3H3,(H3,29,32,33,34,37);4-17H,3H2,1-2H3,(H,30,35)(H2,31,32,33,36);7-13H,6H2,1-5H3,(H,31,33)(H3,25,28,29,30,34)/t;17-;/m.0./s1
InChIKeyQRUNNWQVUFIWQA-COGGZINGSA-N
MW1465.65 g/mol
LogP13.27
Rot. Bonds19

About N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate

N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate (PubChem CID 160501181) has the molecular formula C79H80N22O8 and a molecular weight of 1465.65 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
PubChem CID160501181
Molecular FormulaC79H80N22O8
Molecular Weight1465.65 g/mol
Exact Mass1464.65
IUPAC NameN-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
SMILESCCNC(=O)Nc1nc2c(-c3cc(OC)ccn3)cc(-n3cnc(C(=O)NC(C)(C)C)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(C(C)c4ccccn4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)N[C@@H](C)c4ccccc4)c3)cc2[nH]1
InChIInChI=1S/C28H27N7O2.C27H25N7O3.C24H28N8O3/c1-4-29-28(37)34-27-32-24-15-20(14-21(26(24)33-27)23-10-6-8-12-31-23)19-13-17(2)35(25(36)16-19)18(3)22-9-5-7-11-30-22;1-3-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)21-11-7-8-12-28-21)34-15-23(29-16-34)25(35)30-17(2)18-9-5-4-6-10-18;1-6-25-23(34)30-22-28-18-10-14(32-12-19(27-13-32)21(33)31-24(2,3)4)9-16(20(18)29-22)17-11-15(35-5)7-8-26-17/h5-16,18H,4H2,1-3H3,(H3,29,32,33,34,37);4-17H,3H2,1-2H3,(H,30,35)(H2,31,32,33,36);7-13H,6H2,1-5H3,(H,31,33)(H3,25,28,29,30,34)/t;17-;/m.0./s1
InChIKeyQRUNNWQVUFIWQA-COGGZINGSA-N
XLogP13.27
TPSA383.26 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.65
LogP ≤ 513.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate with MolForge

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Related Compounds

N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide
CID 44132006
1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[(1S)-1-phenylethyl]imidazole-4-carboxamide
CID 71232485
Tert-butyl 4-[4-[[2-[3-[[2-[1-[[4-[4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-2-methoxyphenyl]phenyl]methyl]-3-methyl-2,6-dioxopurin-7-yl]-1-(2-methyl-4-pyridin-4-ylanilino)ethoxy]methyl]-1-methyl-2,6-dioxopurin-7-yl]acetyl]amino]phenyl]-3-methylpiperazine-1-carboxylate
CID 123307197
tert-butyl 4-[2-[5-[3-(hydroxymethyl)-5-[2-[5-[3-(hydroxymethyl)phenyl]-2-oxo-1H-pyridin-3-yl]-6-piperazin-1-yl-3H-benzimidazol-5-yl]phenyl]-2-methoxy-3-pyridinyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate
CID 137308050
ethyl N-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[1-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-[1-(1-methylpiperidin-4-yl)-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 157053774
ethyl N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-[5-(morpholin-4-ylmethyl)-1,3-oxazol-2-yl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 157079467
ethyl N-[6-[1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[1-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 157221389
N-cyclopropyl-1-[2-(ethylcarbamoylamino)-7-pyridin-1-ium-1-yl-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[4-(4-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(6-methoxy-2-pyridinyl)-6-pyrimidin-5-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(4-methyl-2-pyridinyl)-6-[2-oxo-1-(2-oxobutyl)-4-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 157264075
2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-ethyl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(3-methoxyphenyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-[4-(methylamino)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-(6-propan-2-yl-3-pyridinyl)-3H-benzimidazole-5-carboxamide;2-[4-(dimethylamino)phenyl]-N-pyridin-4-yl-3H-benzimidazole-5-carboxamide;methane
CID 157283301
1-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea;ethyl N-[4-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 157334641
N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methylamino]acetyl]-propylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[3-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]phenoxy]butanamide
CID 157378278
N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;methane
CID 157437647

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate (CID 160501181) is N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate is CCNC(=O)Nc1nc2c(-c3cc(OC)ccn3)cc(-n3cnc(C(=O)NC(C)(C)C)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(C(C)c4ccccn4)c(=O)c3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-n3cnc(C(=O)N[C@@H](C)c4ccccc4)c3)cc2[nH]1.
What is the InChIKey of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
The InChIKey is QRUNNWQVUFIWQA-COGGZINGSA-N. The full InChI is InChI=1S/C28H27N7O2.C27H25N7O3.C24H28N8O3/c1-4-29-28(37)34-27-32-24-15-20(14-21(26(24)33-27)23-10-6-8-12-31-23)19-13-17(2)35(25(36)16-19)18(3)22-9-5-7-11-30-22;1-3-37-27(36)33-26-31-22-14-19(13-20(24(22)32-26)21-11-7-8-12-28-21)34-15-23(29-16-34)25(35)30-17(2)18-9-5-4-6-10-18;1-6-25-23(34)30-22-28-18-10-14(32-12-19(27-13-32)21(33)31-24(2,3)4)9-16(20(18)29-22)17-11-15(35-5)7-8-26-17/h5-16,18H,4H2,1-3H3,(H3,29,32,33,34,37);4-17H,3H2,1-2H3,(H,30,35)(H2,31,32,33,36);7-13H,6H2,1-5H3,(H,31,33)(H3,25,28,29,30,34)/t;17-;/m.0./s1.
What are the key properties of N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate?
N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate has a molecular weight of 1465.65 g/mol, XLogP of 13.27, 19 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(ethylcarbamoylamino)-7-(4-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]imidazole-4-carboxamide;1-ethyl-3-[6-[2-methyl-6-oxo-1-(1-pyridin-2-ylethyl)-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[4-[[(1S)-1-phenylethyl]carbamoyl]imidazol-1-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 160501181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).