5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide

C18H16N4O2 — CID 110796357

IUPAC5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)N1
InChIInChI=1S/C18H16N4O2/c23-16-9-8-14(20-16)18(24)19-12-6-7-13-15(10-12)22-17(21-13)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyGGFKHGDFAOTDIL-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.45
Rot. Bonds3

About 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide

5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 110796357) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID110796357
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)N1
InChIInChI=1S/C18H16N4O2/c23-16-9-8-14(20-16)18(24)19-12-6-7-13-15(10-12)22-17(21-13)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,19,24)(H,20,23)(H,21,22)
InChIKeyGGFKHGDFAOTDIL-UHFFFAOYSA-N
XLogP2.45
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
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N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
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1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
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2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
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N-[4-[6-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-1H-benzimidazol-2-yl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
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N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
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N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide (CID 110796357) is 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)N1.
What is the InChIKey of 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is GGFKHGDFAOTDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-16-9-8-14(20-16)18(24)19-12-6-7-13-15(10-12)22-17(21-13)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide?
5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110796357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).