N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C14H16ClN3O — CID 51559087

IUPACN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C14H16ClN3O/c1-3-12(19)17-13(14-16-8-9-18(14)2)10-4-6-11(15)7-5-10/h4-9,13H,3H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyOATFZBSAYOZUFK-ZDUSSCGKSA-N
MW277.76 g/mol
LogP2.69
Rot. Bonds4

About N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 51559087) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID51559087
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C14H16ClN3O/c1-3-12(19)17-13(14-16-8-9-18(14)2)10-4-6-11(15)7-5-10/h4-9,13H,3H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyOATFZBSAYOZUFK-ZDUSSCGKSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660
1-butyl-3-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36961553
2-benzylsulfanyl-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25338698
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbut-2-enamide
CID 43048455
N-[2-[[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25358696
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-cyanoanilino)acetamide
CID 52524810
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 51559087) is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is OATFZBSAYOZUFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-12(19)17-13(14-16-8-9-18(14)2)10-4-6-11(15)7-5-10/h4-9,13H,3H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 277.76 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 51559087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).