2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine

C15H22N4 — CID 43375602

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
SMILESCN(Cc1nc2ccc(N)cc2[nH]1)C1CCCCC1
InChIInChI=1S/C15H22N4/c1-19(12-5-3-2-4-6-12)10-15-17-13-8-7-11(16)9-14(13)18-15/h7-9,12H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyKHPATIKMFNROOF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.91
Rot. Bonds3

About 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine

2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine (PubChem CID 43375602) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
PubChem CID43375602
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
SMILESCN(Cc1nc2ccc(N)cc2[nH]1)C1CCCCC1
InChIInChI=1S/C15H22N4/c1-19(12-5-3-2-4-6-12)10-15-17-13-8-7-11(16)9-14(13)18-15/h7-9,12H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyKHPATIKMFNROOF-UHFFFAOYSA-N
XLogP2.91
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl(oxolan-3-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 82731856
2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61443744
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
CID 3373556
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-3H-benzimidazol-5-amine
CID 78973840
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 107397319
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61431016
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
6-chloro-2-[[cyclohexyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 156870467
2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 55001133

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine (CID 43375602) is 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine is CN(Cc1nc2ccc(N)cc2[nH]1)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine?
The InChIKey is KHPATIKMFNROOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19(12-5-3-2-4-6-12)10-15-17-13-8-7-11(16)9-14(13)18-15/h7-9,12H,2-6,10,16H2,1H3,(H,17,18).
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine?
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 43375602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).