N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide

C20H17ClN4O2 — CID 42628343

IUPACN-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H17ClN4O2/c21-15-6-3-7-16(10-15)24-19(26)17-18(23-12-22-17)20(27)25-9-8-13-4-1-2-5-14(13)11-25/h1-7,10,12H,8-9,11H2,(H,22,23)(H,24,26)
InChIKeyXMPZWKVLUURQNS-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.51
Rot. Bonds3

About N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide

N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 42628343) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID42628343
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H17ClN4O2/c21-15-6-3-7-16(10-15)24-19(26)17-18(23-12-22-17)20(27)25-9-8-13-4-1-2-5-14(13)11-25/h1-7,10,12H,8-9,11H2,(H,22,23)(H,24,26)
InChIKeyXMPZWKVLUURQNS-UHFFFAOYSA-N
XLogP3.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
CID 42601276
tert-butyl 4-[4-[(3-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 42628363
4-N-(3-chlorophenyl)-5-N-[(2S)-1-hydroxypropan-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 46904059
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109098513
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-methylpropanamide
CID 889511
methyl 7-[(3-chlorobenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034779
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109098517
N-(3H-benzimidazol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525602
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 N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide (CID 42628343) is N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is XMPZWKVLUURQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-6-3-7-16(10-15)24-19(26)17-18(23-12-22-17)20(27)25-9-8-13-4-1-2-5-14(13)11-25/h1-7,10,12H,8-9,11H2,(H,22,23)(H,24,26).
What are the key properties of N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 42628343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).