4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide

C14H15ClN4O3 — CID 46904059

IUPAC4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide
SMILESC[C@@H](CO)NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O3/c1-8(6-20)18-13(21)11-12(17-7-16-11)14(22)19-10-4-2-3-9(15)5-10/h2-5,7-8,20H,6H2,1H3,(H,16,17)(H,18,21)(H,19,22)/t8-/m0/s1
InChIKeyCQQSHQYFXTWQRV-QMMMGPOBSA-N
MW322.75 g/mol
LogP1.43
Rot. Bonds5

About 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide

4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 46904059) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide
PubChem CID46904059
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide
SMILESC[C@@H](CO)NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN4O3/c1-8(6-20)18-13(21)11-12(17-7-16-11)14(22)19-10-4-2-3-9(15)5-10/h2-5,7-8,20H,6H2,1H3,(H,16,17)(H,18,21)(H,19,22)/t8-/m0/s1
InChIKeyCQQSHQYFXTWQRV-QMMMGPOBSA-N
XLogP1.43
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide with MolForge

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Related Compounds

ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
CID 46904173
tert-butyl 4-[4-[(3-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 42628363
N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
CID 42628343
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
4-(3-chloroanilino)-4-oxo-3-propan-2-yloxybutanoic acid
CID 70509245
5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736447
benzyl 2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3-phenylpropanoate
CID 73319763
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
4-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[5-(diethylamino)pentan-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 123671159
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide (CID 46904059) is 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide is C[C@@H](CO)NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is CQQSHQYFXTWQRV-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-8(6-20)18-13(21)11-12(17-7-16-11)14(22)19-10-4-2-3-9(15)5-10/h2-5,7-8,20H,6H2,1H3,(H,16,17)(H,18,21)(H,19,22)/t8-/m0/s1.
What are the key properties of 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide?
4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 322.75 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 46904059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).