2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide

C15H19N3O2 — CID 10221158

IUPAC2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
SMILESCOC1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-4,9-10H,5-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGULVCWKZIMPDNV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide

2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide (PubChem CID 10221158) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
PubChem CID10221158
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
SMILESCOC1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
InChIInChI=1S/C15H19N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-4,9-10H,5-8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyGULVCWKZIMPDNV-UHFFFAOYSA-N
XLogP2.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide (CID 10221158) is 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide is COC1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GULVCWKZIMPDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-10-7-5-9(6-8-10)15-17-12-4-2-3-11(14(16)19)13(12)18-15/h2-4,9-10H,5-8H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide?
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10221158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).