N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine

C16H23N3 — CID 115144037

IUPACN-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
SMILESCN(CC1CCCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H23N3/c1-18(12-13-8-4-3-5-9-13)16-17-14-10-6-7-11-15(14)19(16)2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyAPFDMXUGYGWAJY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.59
Rot. Bonds3

About N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine

N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine (PubChem CID 115144037) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
PubChem CID115144037
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
SMILESCN(CC1CCCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C16H23N3/c1-18(12-13-8-4-3-5-9-13)16-17-14-10-6-7-11-15(14)19(16)2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyAPFDMXUGYGWAJY-UHFFFAOYSA-N
XLogP3.59
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 107203489
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
N-(3-chloropropyl)-N-cyclobutyl-1-methylbenzimidazol-2-amine
CID 102871457
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
2-(cyclopropylmethoxy)-N-methyl-N-(1-methylbenzimidazol-2-yl)acetamide
CID 86792738
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026
N,2-dimethyl-N-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxamide
CID 86792753

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine (CID 115144037) is N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine is CN(CC1CCCCC1)c1nc2ccccc2n1C.
What is the InChIKey of N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine?
The InChIKey is APFDMXUGYGWAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-18(12-13-8-4-3-5-9-13)16-17-14-10-6-7-11-15(14)19(16)2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine?
N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 115144037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).