1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine

C15H21N3 — CID 114130078

IUPAC1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine
SMILESCC1CCCC(Cn2cnc3cc(N)ccc32)C1
InChIInChI=1S/C15H21N3/c1-11-3-2-4-12(7-11)9-18-10-17-14-8-13(16)5-6-15(14)18/h5-6,8,10-12H,2-4,7,9,16H2,1H3
InChIKeyAGYIASLCONBQKJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds2

About 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine

1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine (PubChem CID 114130078) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine
PubChem CID114130078
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine
SMILESCC1CCCC(Cn2cnc3cc(N)ccc32)C1
InChIInChI=1S/C15H21N3/c1-11-3-2-4-12(7-11)9-18-10-17-14-8-13(16)5-6-15(14)18/h5-6,8,10-12H,2-4,7,9,16H2,1H3
InChIKeyAGYIASLCONBQKJ-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine (CID 114130078) is 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine is CC1CCCC(Cn2cnc3cc(N)ccc32)C1.
What is the InChIKey of 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine?
The InChIKey is AGYIASLCONBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-3-2-4-12(7-11)9-18-10-17-14-8-13(16)5-6-15(14)18/h5-6,8,10-12H,2-4,7,9,16H2,1H3.
What are the key properties of 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine?
1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 114130078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).