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

C16H22N4O2 — CID 119813057

IUPAC3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C16H22N4O2/c17-12-5-3-4-11(10-12)15(21)18-8-9-20-14-7-2-1-6-13(14)19-16(20)22/h1-2,6-7,11-12H,3-5,8-10,17H2,(H,18,21)(H,19,22)
InChIKeyCAJZWPPNHKVACZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.96
Rot. Bonds4

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

3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119813057) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119813057
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1
InChIInChI=1S/C16H22N4O2/c17-12-5-3-4-11(10-12)15(21)18-8-9-20-14-7-2-1-6-13(14)19-16(20)22/h1-2,6-7,11-12H,3-5,8-10,17H2,(H,18,21)(H,19,22)
InChIKeyCAJZWPPNHKVACZ-UHFFFAOYSA-N
XLogP0.96
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
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3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119786008
3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
CID 119778828
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
CID 146129531
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide (CID 119813057) is 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1.
What is the InChIKey of 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CAJZWPPNHKVACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-12-5-3-4-11(10-12)15(21)18-8-9-20-14-7-2-1-6-13(14)19-16(20)22/h1-2,6-7,11-12H,3-5,8-10,17H2,(H,18,21)(H,19,22).
What are the key properties of 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119813057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).