N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide

C18H14N4O2 — CID 26645123

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14N4O2/c23-17(12-3-6-14(7-4-12)22-9-1-2-10-22)19-13-5-8-15-16(11-13)21-18(24)20-15/h1-11H,(H,19,23)(H2,20,21,24)
InChIKeyKQYSACZDEKSMQH-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.90
Rot. Bonds3

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 26645123) 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)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
PubChem CID26645123
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14N4O2/c23-17(12-3-6-14(7-4-12)22-9-1-2-10-22)19-13-5-8-15-16(11-13)21-18(24)20-15/h1-11H,(H,19,23)(H2,20,21,24)
InChIKeyKQYSACZDEKSMQH-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)-3-pyrrol-1-ylbenzamide
CID 26702412
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
6-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyridine-3-carboxamide
CID 26017164
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrol-1-ylbenzamide
CID 27649854
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide (CID 26645123) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is KQYSACZDEKSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(12-3-6-14(7-4-12)22-9-1-2-10-22)19-13-5-8-15-16(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)-4-pyrrol-1-ylbenzamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-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)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 26645123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).