4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide

C15H20N4O — CID 18732356

IUPAC4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H20N4O/c1-16-14(20)10-6-8-11(9-7-10)17-15-18-12-4-2-3-5-13(12)19-15/h2-5,10-11H,6-9H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyLHFLKHIGZLZCLM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.28
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide

4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide (PubChem CID 18732356) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
PubChem CID18732356
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H20N4O/c1-16-14(20)10-6-8-11(9-7-10)17-15-18-12-4-2-3-5-13(12)19-15/h2-5,10-11H,6-9H2,1H3,(H,16,20)(H2,17,18,19)
InChIKeyLHFLKHIGZLZCLM-UHFFFAOYSA-N
XLogP2.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-ylamino)-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 70014718
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
CID 133410404
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine
CID 113341923

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide (CID 18732356) is 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide?
The InChIKey is LHFLKHIGZLZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-14(20)10-6-8-11(9-7-10)17-15-18-12-4-2-3-5-13(12)19-15/h2-5,10-11H,6-9H2,1H3,(H,16,20)(H2,17,18,19).
What are the key properties of 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide?
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 18732356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).