2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H18N4O — CID 91628425

IUPAC2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(NC(=O)C2CCc3nc(C)[nH]c3C2)n1
InChIInChI=1S/C15H18N4O/c1-9-4-3-5-14(16-9)19-15(20)11-6-7-12-13(8-11)18-10(2)17-12/h3-5,11H,6-8H2,1-2H3,(H,17,18)(H,16,19,20)
InChIKeyLLPCZRGJBQXUAK-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628425) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628425
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(NC(=O)C2CCc3nc(C)[nH]c3C2)n1
InChIInChI=1S/C15H18N4O/c1-9-4-3-5-14(16-9)19-15(20)11-6-7-12-13(8-11)18-10(2)17-12/h3-5,11H,6-8H2,1-2H3,(H,17,18)(H,16,19,20)
InChIKeyLLPCZRGJBQXUAK-UHFFFAOYSA-N
XLogP2.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628425) is 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1cccc(NC(=O)C2CCc3nc(C)[nH]c3C2)n1.
What is the InChIKey of 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is LLPCZRGJBQXUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-4-3-5-14(16-9)19-15(20)11-6-7-12-13(8-11)18-10(2)17-12/h3-5,11H,6-8H2,1-2H3,(H,17,18)(H,16,19,20).
What are the key properties of 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).