4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide

C12H20N4O — CID 65232143

IUPAC4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C12H20N4O/c13-10-3-1-9(2-4-10)12(17)15-6-5-11-7-14-8-16-11/h7-10H,1-6,13H2,(H,14,16)(H,15,17)
InChIKeyCSSZHWQATXHSSS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds4

About 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 65232143) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID65232143
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C12H20N4O/c13-10-3-1-9(2-4-10)12(17)15-6-5-11-7-14-8-16-11/h7-10H,1-6,13H2,(H,14,16)(H,15,17)
InChIKeyCSSZHWQATXHSSS-UHFFFAOYSA-N
XLogP0.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
CID 114826330
4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529492
2-amino-N-[4-[2-(1H-imidazol-5-yl)ethylcarbamoyl]cyclohexyl]-1,3-thiazole-5-carboxamide;formic acid
CID 171713216
N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 22422539
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
(3R)-1-cyclopropyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97135466
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 65232024
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665371

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide (CID 65232143) is 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)NCCc2cnc[nH]2)CC1.
What is the InChIKey of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CSSZHWQATXHSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-10-3-1-9(2-4-10)12(17)15-6-5-11-7-14-8-16-11/h7-10H,1-6,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 65232143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).