N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide

C18H14N4O2 — CID 75503534

IUPACN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2ncccc12
InChIInChI=1S/C18H14N4O2/c23-17(13-3-1-5-14-12(13)4-2-8-19-14)20-10-11-6-7-15-16(9-11)22-18(24)21-15/h1-9H,10H2,(H,20,23)(H2,21,22,24)
InChIKeyVRBIXLBZEPNECB-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.33
Rot. Bonds3

About N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide (PubChem CID 75503534) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
PubChem CID75503534
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2ncccc12
InChIInChI=1S/C18H14N4O2/c23-17(13-3-1-5-14-12(13)4-2-8-19-14)20-10-11-6-7-15-16(9-11)22-18(24)21-15/h1-9H,10H2,(H,20,23)(H2,21,22,24)
InChIKeyVRBIXLBZEPNECB-UHFFFAOYSA-N
XLogP2.33
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 75503782
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
CID 26063547
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131920367
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 155948063

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide?
The IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide (CID 75503534) is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2ncccc12.
What is the InChIKey of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide?
The InChIKey is VRBIXLBZEPNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(13-3-1-5-14-12(13)4-2-8-19-14)20-10-11-6-7-15-16(9-11)22-18(24)21-15/h1-9H,10H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide?
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 75503534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).