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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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).