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

C20H17ClN4O2 — CID 42601276

IUPACN-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H17ClN4O2/c21-15-5-7-16(8-6-15)24-19(26)17-18(23-12-22-17)20(27)25-10-9-13-3-1-2-4-14(13)11-25/h1-8,12H,9-11H2,(H,22,23)(H,24,26)
InChIKeyQJKJATDPEMMNOJ-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.51
Rot. Bonds3

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

N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 42601276) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
PubChem CID42601276
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H17ClN4O2/c21-15-5-7-16(8-6-15)24-19(26)17-18(23-12-22-17)20(27)25-10-9-13-3-1-2-4-14(13)11-25/h1-8,12H,9-11H2,(H,22,23)(H,24,26)
InChIKeyQJKJATDPEMMNOJ-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-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
CID 42628343
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629
[5-(4-chloroanilino)-2H-triazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 50929198
[2-(4-chloroanilino)pyrimidin-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109259676
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
[6-(4-chloroanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350790
3-[5-chloro-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-(4-chlorophenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 168969592
N-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350691
6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109098513
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide (CID 42601276) is N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
The InChIKey is QJKJATDPEMMNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-15-5-7-16(8-6-15)24-19(26)17-18(23-12-22-17)20(27)25-10-9-13-3-1-2-4-14(13)11-25/h1-8,12H,9-11H2,(H,22,23)(H,24,26).
What are the key properties of N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide?
N-(4-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-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 42601276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).