2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide

C18H23N3O — CID 75447392

IUPAC2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCCC1)NCc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H23N3O/c22-17(12-14-5-2-1-3-6-14)21-13-15-7-4-8-16(11-15)18-19-9-10-20-18/h4,7-11,14H,1-3,5-6,12-13H2,(H,19,20)(H,21,22)
InChIKeyOFTSAZGMSDKDBW-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.66
Rot. Bonds5

About 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide

2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide (PubChem CID 75447392) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide
PubChem CID75447392
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide
SMILESO=C(CC1CCCCC1)NCc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H23N3O/c22-17(12-14-5-2-1-3-6-14)21-13-15-7-4-8-16(11-15)18-19-9-10-20-18/h4,7-11,14H,1-3,5-6,12-13H2,(H,19,20)(H,21,22)
InChIKeyOFTSAZGMSDKDBW-UHFFFAOYSA-N
XLogP3.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 164643035
2-cyclohexyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108761273
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
2-cyclobutyl-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 103710693
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566
2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871925
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
3-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906141
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
CID 105062462

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide (CID 75447392) is 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide is O=C(CC1CCCCC1)NCc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide?
The InChIKey is OFTSAZGMSDKDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-17(12-14-5-2-1-3-6-14)21-13-15-7-4-8-16(11-15)18-19-9-10-20-18/h4,7-11,14H,1-3,5-6,12-13H2,(H,19,20)(H,21,22).
What are the key properties of 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide?
2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[3-(1H-imidazol-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 75447392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).