3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide

C16H22N4O — CID 119835113

IUPAC3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-2,6-7,11-12H,3-5,8-10,17H2,(H,18,21)(H,19,20)
InChIKeyQXHVARWWSQPXGX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119835113) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119835113
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-2,6-7,11-12H,3-5,8-10,17H2,(H,18,21)(H,19,20)
InChIKeyQXHVARWWSQPXGX-UHFFFAOYSA-N
XLogP1.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide 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

3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
(1S,2R,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98680037
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
(2S,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopentanecarbonylamino)-1-methylpyrrolidine-2-carboxamide
CID 56720580
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexane-1-carboxamide
CID 155504407
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43229191
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119838264
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119813057
3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
CID 119778828

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 119835113) is 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is QXHVARWWSQPXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-2,6-7,11-12H,3-5,8-10,17H2,(H,18,21)(H,19,20).
What are the key properties of 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119835113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).