N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C17H16N4O — CID 90640170

IUPACN-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C17H16N4O/c22-17(12-3-5-15-16(9-12)20-10-19-15)21-13-4-6-14-11(8-13)2-1-7-18-14/h1-2,4,6-8,10,12H,3,5,9H2,(H,19,20)(H,21,22)
InChIKeyUZRAFBCHOIUIHU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.70
Rot. Bonds2

About N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640170) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640170
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)C1CCc2nc[nH]c2C1
InChIInChI=1S/C17H16N4O/c22-17(12-3-5-15-16(9-12)20-10-19-15)21-13-4-6-14-11(8-13)2-1-7-18-14/h1-2,4,6-8,10,12H,3,5,9H2,(H,19,20)(H,21,22)
InChIKeyUZRAFBCHOIUIHU-UHFFFAOYSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550679
3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
CID 119842997
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639917
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640075
(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 10683521
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640067
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640002
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
N-[(2-ethoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640228
N-[4-(diethylamino)-2-methylphenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640111
N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785

Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640170) is N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc2ncccc2c1)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is UZRAFBCHOIUIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(12-3-5-15-16(9-12)20-10-19-15)21-13-4-6-14-11(8-13)2-1-7-18-14/h1-2,4,6-8,10,12H,3,5,9H2,(H,19,20)(H,21,22).
What are the key properties of N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).