1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide

C18H18N6O — CID 143443588

IUPAC1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide
SMILESCc1ccc2nc(-c3cc(NC(=O)c4nccn4C)cn3C)[nH]c2c1
InChIInChI=1S/C18H18N6O/c1-11-4-5-13-14(8-11)22-16(21-13)15-9-12(10-24(15)3)20-18(25)17-19-6-7-23(17)2/h4-10H,1-3H3,(H,20,25)(H,21,22)
InChIKeyIUFGLVKCLFVXOT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.86
Rot. Bonds3

About 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide

1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide (PubChem CID 143443588) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide
PubChem CID143443588
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide
SMILESCc1ccc2nc(-c3cc(NC(=O)c4nccn4C)cn3C)[nH]c2c1
InChIInChI=1S/C18H18N6O/c1-11-4-5-13-14(8-11)22-16(21-13)15-9-12(10-24(15)3)20-18(25)17-19-6-7-23(17)2/h4-10H,1-3H3,(H,20,25)(H,21,22)
InChIKeyIUFGLVKCLFVXOT-UHFFFAOYSA-N
XLogP2.86
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bay-985
CID 145925685
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
5-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyrimidine-2-carboxamide
CID 10024175
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896
1,3-diethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581392
[4-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl][(2s)-1-(Propan-2-Yl)pyrrolidin-2-Yl]methanone
CID 53341544
7,8-Dimethyl-4-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10453303
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
(2S)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454917
N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamide
CID 134611545
N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)acetamide
CID 134611580
Irtemazole
CID 71330

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide (CID 143443588) is 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide is Cc1ccc2nc(-c3cc(NC(=O)c4nccn4C)cn3C)[nH]c2c1.
What is the InChIKey of 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide?
The InChIKey is IUFGLVKCLFVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-4-5-13-14(8-11)22-16(21-13)15-9-12(10-24(15)3)20-18(25)17-19-6-7-23(17)2/h4-10H,1-3H3,(H,20,25)(H,21,22).
What are the key properties of 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide?
1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)pyrrol-3-yl]imidazole-2-carboxamide is sourced from PubChem (CID 143443588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).