3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide

C22H22N4O3 — CID 167753356

IUPAC3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2[nH]c(=O)n(C3CC3)c2c1
InChIInChI=1S/C22H22N4O3/c27-20(14-6-9-18-19(13-14)26(17-7-8-17)22(29)24-18)23-16-5-3-4-15(12-16)21(28)25-10-1-2-11-25/h3-6,9,12-13,17H,1-2,7-8,10-11H2,(H,23,27)(H,24,29)
InChIKeyNBGRSABYAUCUJQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.15
Rot. Bonds4

About 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide

3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide (PubChem CID 167753356) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide
PubChem CID167753356
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2[nH]c(=O)n(C3CC3)c2c1
InChIInChI=1S/C22H22N4O3/c27-20(14-6-9-18-19(13-14)26(17-7-8-17)22(29)24-18)23-16-5-3-4-15(12-16)21(28)25-10-1-2-11-25/h3-6,9,12-13,17H,1-2,7-8,10-11H2,(H,23,27)(H,24,29)
InChIKeyNBGRSABYAUCUJQ-UHFFFAOYSA-N
XLogP3.15
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide (CID 167753356) is 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide is O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2[nH]c(=O)n(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide?
The InChIKey is NBGRSABYAUCUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20(14-6-9-18-19(13-14)26(17-7-8-17)22(29)24-18)23-16-5-3-4-15(12-16)21(28)25-10-1-2-11-25/h3-6,9,12-13,17H,1-2,7-8,10-11H2,(H,23,27)(H,24,29).
What are the key properties of 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide?
3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167753356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).