N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide

C18H14N4O2 — CID 26702412

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H14N4O2/c23-17(12-4-3-5-14(10-12)22-8-1-2-9-22)19-13-6-7-15-16(11-13)21-18(24)20-15/h1-11H,(H,19,23)(H2,20,21,24)
InChIKeyYONTWTJRELCYRO-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.90
Rot. Bonds3

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide (PubChem CID 26702412) 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)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
PubChem CID26702412
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H14N4O2/c23-17(12-4-3-5-14(10-12)22-8-1-2-9-22)19-13-6-7-15-16(11-13)21-18(24)20-15/h1-11H,(H,19,23)(H2,20,21,24)
InChIKeyYONTWTJRELCYRO-UHFFFAOYSA-N
XLogP2.90
TPSA82.68 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 ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 26645123
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 3863053
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 34160976
3-(diethylsulfamoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2326018
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylmethoxybenzamide
CID 17102550
6-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyridine-3-carboxamide
CID 26017164

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide (CID 26702412) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide?
The InChIKey is YONTWTJRELCYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(12-4-3-5-14(10-12)22-8-1-2-9-22)19-13-6-7-15-16(11-13)21-18(24)20-15/h1-11H,(H,19,23)(H2,20,21,24).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide has a molecular weight of 318.34 g/mol, XLogP of 2.90, 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)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 26702412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).