N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide

C17H16N4O — CID 108885802

IUPACN-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)N1CCCc2ccccc21
InChIInChI=1S/C17H16N4O/c22-17(20-13-7-8-14-15(10-13)19-11-18-14)21-9-3-5-12-4-1-2-6-16(12)21/h1-2,4,6-8,10-11H,3,5,9H2,(H,18,19)(H,20,22)
InChIKeyFIPSVUTXDDSYHI-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.55
Rot. Bonds1

About N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 108885802) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID108885802
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)N1CCCc2ccccc21
InChIInChI=1S/C17H16N4O/c22-17(20-13-7-8-14-15(10-13)19-11-18-14)21-9-3-5-12-4-1-2-6-16(12)21/h1-2,4,6-8,10-11H,3,5,9H2,(H,18,19)(H,20,22)
InChIKeyFIPSVUTXDDSYHI-UHFFFAOYSA-N
XLogP3.55
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3H-benzimidazol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525602
N-(1H-1,2,4-triazol-5-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 45087001
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
3H-benzimidazol-5-yl-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110742341
N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886011
2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108521221
N-(4-hydroxy-3-nitrophenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222909
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 108885802) is N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(Nc1ccc2nc[nH]c2c1)N1CCCc2ccccc21.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is FIPSVUTXDDSYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(20-13-7-8-14-15(10-13)19-11-18-14)21-9-3-5-12-4-1-2-6-16(12)21/h1-2,4,6-8,10-11H,3,5,9H2,(H,18,19)(H,20,22).
What are the key properties of N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 108885802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).