5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide

C23H17Cl2N3O2S — CID 164614677

IUPAC5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cn1ccnc1)C(=O)c1cccc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C23H17Cl2N3O2S/c24-17-6-4-15(5-7-17)20-8-9-21(31-20)23(30)27-19(13-28-11-10-26-14-28)22(29)16-2-1-3-18(25)12-16/h1-12,14,19H,13H2,(H,27,30)
InChIKeyOBLCYSVZYPJBFA-UHFFFAOYSA-N
MW470.38 g/mol
LogP5.60
Rot. Bonds7

About 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide

5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 164614677) has the molecular formula C23H17Cl2N3O2S and a molecular weight of 470.38 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID164614677
Molecular FormulaC23H17Cl2N3O2S
Molecular Weight470.38 g/mol
Exact Mass469.04
IUPAC Name5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cn1ccnc1)C(=O)c1cccc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C23H17Cl2N3O2S/c24-17-6-4-15(5-7-17)20-8-9-21(31-20)23(30)27-19(13-28-11-10-26-14-28)22(29)16-2-1-3-18(25)12-16/h1-12,14,19H,13H2,(H,27,30)
InChIKeyOBLCYSVZYPJBFA-UHFFFAOYSA-N
XLogP5.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.38
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

propan-2-yl 2-[(6-chloro-1,3-benzothiazole-2-carbonyl)amino]-3-imidazol-1-ylpropanoate
CID 175042143
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CID 134136445
N'-(3-chlorophenyl)-5-(4-chlorophenyl)thiophene-2-carbohydrazide
CID 43009139
1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one
CID 70525728
3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
CID 169416226
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
N-(4-chlorophenyl)-5-pyridin-4-ylthiophene-2-carboxamide
CID 11493386
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
CID 117068688
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
propan-2-yl (2S)-2-[[4-(2,4-difluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134152409

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 164614677) is 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide is O=C(NC(Cn1ccnc1)C(=O)c1cccc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is OBLCYSVZYPJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2S/c24-17-6-4-15(5-7-17)20-8-9-21(31-20)23(30)27-19(13-28-11-10-26-14-28)22(29)16-2-1-3-18(25)12-16/h1-12,14,19H,13H2,(H,27,30).
What are the key properties of 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 470.38 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 164614677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).