2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine

C15H21N3 — CID 3373556

IUPAC2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,18)
InChIKeyPHTPQUYYNBOYPH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine

2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine (PubChem CID 3373556) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
PubChem CID3373556
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,18)
InChIKeyPHTPQUYYNBOYPH-UHFFFAOYSA-N
XLogP3.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 13624
CID 13624
CID 12132
CID 12132
CID 11984
CID 11984
CID 12855
CID 12855
CID 22122
CID 22122
CID 67560
CID 67560
CID 15807
CID 15807
CID 2387
CID 2387
CID 24260
CID 24260
CID 145820
CID 145820
CID 3246448
CID 3246448
CID 32366
CID 32366

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine (CID 3373556) is 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(CCC3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
The InChIKey is PHTPQUYYNBOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,18).
What are the key properties of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 3373556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).