1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine

C15H21N3 — CID 154455825

IUPAC1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
SMILESCNc1ccc2c(c1)ncn2CC1CCCCC1
InChIInChI=1S/C15H21N3/c1-16-13-7-8-15-14(9-13)17-11-18(15)10-12-5-3-2-4-6-12/h7-9,11-12,16H,2-6,10H2,1H3
InChIKeyIVCZRIBPRYSMJM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.66
Rot. Bonds3

About 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine

1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine (PubChem CID 154455825) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
PubChem CID154455825
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine
SMILESCNc1ccc2c(c1)ncn2CC1CCCCC1
InChIInChI=1S/C15H21N3/c1-16-13-7-8-15-14(9-13)17-11-18(15)10-12-5-3-2-4-6-12/h7-9,11-12,16H,2-6,10H2,1H3
InChIKeyIVCZRIBPRYSMJM-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
The IUPAC name of 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine (CID 154455825) is 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine is CNc1ccc2c(c1)ncn2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
The InChIKey is IVCZRIBPRYSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-16-13-7-8-15-14(9-13)17-11-18(15)10-12-5-3-2-4-6-12/h7-9,11-12,16H,2-6,10H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine?
1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methylbenzimidazol-5-amine is sourced from PubChem (CID 154455825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).