[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine

C16H23N3 — CID 115443651

IUPAC[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
SMILESCn1c(C2(CN)CCCCCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-19-14-9-5-4-8-13(14)18-15(19)16(12-17)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3
InChIKeyCNHDJXSIWDEMPV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.12
Rot. Bonds2

About [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine

[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine (PubChem CID 115443651) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
PubChem CID115443651
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
SMILESCn1c(C2(CN)CCCCCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-19-14-9-5-4-8-13(14)18-15(19)16(12-17)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3
InChIKeyCNHDJXSIWDEMPV-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 115445727
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
[1-(1-methylimidazo[4,5-c]pyridin-2-yl)cycloheptyl]methanamine
CID 115443687
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 113309172
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 113311165
[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450556
2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one
CID 84792832
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
CID 115450576
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450565

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine (CID 115443651) is [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine is Cn1c(C2(CN)CCCCCC2)nc2ccccc21.
What is the InChIKey of [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine?
The InChIKey is CNHDJXSIWDEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-14-9-5-4-8-13(14)18-15(19)16(12-17)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12,17H2,1H3.
What are the key properties of [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine?
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine is sourced from PubChem (CID 115443651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).