N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide

C107H93FN20O11S — CID 159898013

IUPACN-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2N)ccc1Cn1c(=O)n(C)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2ccccc2)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccnc2)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C29H25N5O3.C28H24N6O3.C27H23N5O3S.C23H21FN4O2/c1-33-25-13-7-8-14-26(25)34(29(33)37)18-21-16-15-20(28(36)31-23-12-6-5-11-22(23)30)17-24(21)32-27(35)19-9-3-2-4-10-19;1-33-24-10-4-5-11-25(24)34(28(33)37)17-20-13-12-18(26(35)31-22-9-3-2-8-21(22)29)15-23(20)32-27(36)19-7-6-14-30-16-19;1-31-22-9-4-5-10-23(22)32(27(31)35)16-18-13-12-17(25(33)29-20-8-3-2-7-19(20)28)15-21(18)30-26(34)24-11-6-14-36-24;1-14-11-15(22(29)26-19-10-9-17(24)12-18(19)25)7-8-16(14)13-28-21-6-4-3-5-20(21)27(2)23(28)30/h2-17H,18,30H2,1H3,(H,31,36)(H,32,35);2-16H,17,29H2,1H3,(H,31,35)(H,32,36);2-15H,16,28H2,1H3,(H,29,33)(H,30,34);3-12H,13,25H2,1-2H3,(H,26,29)
InChIKeyNVPBRYLDXAMQLI-UHFFFAOYSA-N
MW1886.11 g/mol
LogP16.55
Rot. Bonds22

About N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide

N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 159898013) has the molecular formula C107H93FN20O11S and a molecular weight of 1886.11 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID159898013
Molecular FormulaC107H93FN20O11S
Molecular Weight1886.11 g/mol
Exact Mass1884.70
IUPAC NameN-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2N)ccc1Cn1c(=O)n(C)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2ccccc2)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccnc2)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C29H25N5O3.C28H24N6O3.C27H23N5O3S.C23H21FN4O2/c1-33-25-13-7-8-14-26(25)34(29(33)37)18-21-16-15-20(28(36)31-23-12-6-5-11-22(23)30)17-24(21)32-27(35)19-9-3-2-4-10-19;1-33-24-10-4-5-11-25(24)34(28(33)37)17-20-13-12-18(26(35)31-22-9-3-2-8-21(22)29)15-23(20)32-27(36)19-7-6-14-30-16-19;1-31-22-9-4-5-10-23(22)32(27(31)35)16-18-13-12-17(25(33)29-20-8-3-2-7-19(20)28)15-21(18)30-26(34)24-11-6-14-36-24;1-14-11-15(22(29)26-19-10-9-17(24)12-18(19)25)7-8-16(14)13-28-21-6-4-3-5-20(21)27(2)23(28)30/h2-17H,18,30H2,1H3,(H,31,36)(H,32,35);2-16H,17,29H2,1H3,(H,31,35)(H,32,36);2-15H,16,28H2,1H3,(H,29,33)(H,30,34);3-12H,13,25H2,1-2H3,(H,26,29)
InChIKeyNVPBRYLDXAMQLI-UHFFFAOYSA-N
XLogP16.55
TPSA428.39 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.11
LogP ≤ 516.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-(thiophen-2-ylmethylamino)isoindole-1,3-dione;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione
CID 157610074
bis(6,7-dimethyl-1-propan-2-yl-3H-indol-2-one);7-fluoro-6-methyl-1-propan-2-yl-3H-indol-2-one;6-methyl-1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-2-one;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;6-propan-2-yl-4H-thieno[2,3-b]pyrrol-5-one
CID 158832840
(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;(5S)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
CID 159741222
5-[2-amino-7a-[5-(3-cyano-4-fluorophenyl)thiophen-2-yl]-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl]pyridine-2-carbonitrile;5-[5-[2-amino-6-(cyclohexanecarbonyl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl]-2-fluorobenzonitrile;3-(2-amino-3-methyl-4-oxo-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl)benzonitrile;4-(2-amino-3-methyl-4-oxo-7a-thiophen-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidine-6-carbonyl)benzonitrile
CID 160530028

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide (CID 159898013) is N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2N)ccc1Cn1c(=O)n(C)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2ccccc2)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccnc2)c2ccccc21.Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccs2)c2ccccc21.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is NVPBRYLDXAMQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3.C28H24N6O3.C27H23N5O3S.C23H21FN4O2/c1-33-25-13-7-8-14-26(25)34(29(33)37)18-21-16-15-20(28(36)31-23-12-6-5-11-22(23)30)17-24(21)32-27(35)19-9-3-2-4-10-19;1-33-24-10-4-5-11-25(24)34(28(33)37)17-20-13-12-18(26(35)31-22-9-3-2-8-21(22)29)15-23(20)32-27(36)19-7-6-14-30-16-19;1-31-22-9-4-5-10-23(22)32(27(31)35)16-18-13-12-17(25(33)29-20-8-3-2-7-19(20)28)15-21(18)30-26(34)24-11-6-14-36-24;1-14-11-15(22(29)26-19-10-9-17(24)12-18(19)25)7-8-16(14)13-28-21-6-4-3-5-20(21)27(2)23(28)30/h2-17H,18,30H2,1H3,(H,31,36)(H,32,35);2-16H,17,29H2,1H3,(H,31,35)(H,32,36);2-15H,16,28H2,1H3,(H,29,33)(H,30,34);3-12H,13,25H2,1-2H3,(H,26,29).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide?
N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 1886.11 g/mol, XLogP of 16.55, 22 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-methyl-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-3-benzamido-4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide;N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 159898013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).