1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide

C19H16N4O2 — CID 134028017

IUPAC1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccn1Cc1ccccc1
InChIInChI=1S/C19H16N4O2/c24-18(20-14-8-9-15-16(11-14)22-19(25)21-15)17-7-4-10-23(17)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,24)(H2,21,22,25)
InChIKeyNELBNTCBZYGFCU-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.96
Rot. Bonds4

About 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide

1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide (PubChem CID 134028017) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
PubChem CID134028017
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccn1Cc1ccccc1
InChIInChI=1S/C19H16N4O2/c24-18(20-14-8-9-15-16(11-14)22-19(25)21-15)17-7-4-10-23(17)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,24)(H2,21,22,25)
InChIKeyNELBNTCBZYGFCU-UHFFFAOYSA-N
XLogP2.96
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 9114469
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
5-[1-(benzylamino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113900
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024336
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylsulfanylacetamide
CID 6459618
1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 36665052
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 16618248
5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
CID 155113901
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylmethoxybenzamide
CID 17102550

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide (CID 134028017) is 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is NELBNTCBZYGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18(20-14-8-9-15-16(11-14)22-19(25)21-15)17-7-4-10-23(17)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,24)(H2,21,22,25).
What are the key properties of 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide?
1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 134028017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).