3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide

C21H29N3O — CID 110442102

IUPAC3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)CCC1CCCCC1)c1nccn1C
InChIInChI=1S/C21H29N3O/c1-16-8-6-7-11-18(16)20(21-22-14-15-24(21)2)23-19(25)13-12-17-9-4-3-5-10-17/h6-8,11,14-15,17,20H,3-5,9-10,12-13H2,1-2H3,(H,23,25)
InChIKeyPMZLMLHUFHETIJ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.29
Rot. Bonds6

About 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide

3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide (PubChem CID 110442102) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
PubChem CID110442102
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)CCC1CCCCC1)c1nccn1C
InChIInChI=1S/C21H29N3O/c1-16-8-6-7-11-18(16)20(21-22-14-15-24(21)2)23-19(25)13-12-17-9-4-3-5-10-17/h6-8,11,14-15,17,20H,3-5,9-10,12-13H2,1-2H3,(H,23,25)
InChIKeyPMZLMLHUFHETIJ-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide
CID 110442119
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
2,2-dimethyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
CID 110444680
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94092667
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
3-(3,4-dimethylphenyl)sulfanyl-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 18207516
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
3-(2-fluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 37295393
2-(2,6-dimethylphenoxy)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17417006
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide (CID 110442102) is 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide is Cc1ccccc1C(NC(=O)CCC1CCCCC1)c1nccn1C.
What is the InChIKey of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
The InChIKey is PMZLMLHUFHETIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16-8-6-7-11-18(16)20(21-22-14-15-24(21)2)23-19(25)13-12-17-9-4-3-5-10-17/h6-8,11,14-15,17,20H,3-5,9-10,12-13H2,1-2H3,(H,23,25).
What are the key properties of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide?
3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide has a molecular weight of 339.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110442102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).