[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine

C17H25N3 — CID 115436209

IUPAC[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCCCn1c(C2(CN)CCCCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-2-12-20-15-9-5-4-8-14(15)19-16(20)17(13-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13,18H2,1H3
InChIKeyPMBRKQBHRWVSCW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.61
Rot. Bonds4

About [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine

[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine (PubChem CID 115436209) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
PubChem CID115436209
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
SMILESCCCn1c(C2(CN)CCCCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-2-12-20-15-9-5-4-8-14(15)19-16(20)17(13-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13,18H2,1H3
InChIKeyPMBRKQBHRWVSCW-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
[1-(1-propylimidazo[4,5-c]pyridin-2-yl)cyclobutyl]methanamine
CID 115445776
[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 115445727
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
CID 115450576
[1-(6-fluoro-1-propylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450574
2-methyl-2-(1-propylbenzimidazol-2-yl)cyclohexan-1-amine
CID 83214303
[1-(7-chloro-1-ethylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443673
[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)cyclopentyl]methanamine
CID 115433491
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203
[1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436238
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253

Frequently Asked Questions

What is the IUPAC name of [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine (CID 115436209) is [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine is CCCn1c(C2(CN)CCCCC2)nc2ccccc21.
What is the InChIKey of [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine?
The InChIKey is PMBRKQBHRWVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-12-20-15-9-5-4-8-14(15)19-16(20)17(13-18)10-6-3-7-11-17/h4-5,8-9H,2-3,6-7,10-13,18H2,1H3.
What are the key properties of [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine?
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115436209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).