1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide

C20H22N4O4 — CID 136522609

IUPAC1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C1CC(N(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C2CC2)C(=O)N1
InChIInChI=1S/C20H22N4O4/c25-17-10-16(18(26)22-17)23(13-6-7-13)19(27)11-5-8-15-14(9-11)21-20(28)24(15)12-3-1-2-4-12/h5,8-9,12-13,16H,1-4,6-7,10H2,(H,21,28)(H,22,25,26)
InChIKeyGZPJCTXCFIHEBV-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.46
Rot. Bonds4

About 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide

1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 136522609) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID136522609
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C1CC(N(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C2CC2)C(=O)N1
InChIInChI=1S/C20H22N4O4/c25-17-10-16(18(26)22-17)23(13-6-7-13)19(27)11-5-8-15-14(9-11)21-20(28)24(15)12-3-1-2-4-12/h5,8-9,12-13,16H,1-4,6-7,10H2,(H,21,28)(H,22,25,26)
InChIKeyGZPJCTXCFIHEBV-UHFFFAOYSA-N
XLogP1.46
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 98130864
N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
CID 95288277
1-cyclopentyl-2-oxo-N-propyl-N-pyrrolidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119532706
3-cyclopentyl-6-[3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139012625
N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 146084272
N-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 120884273
(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 95905270
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide (CID 136522609) is 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide is O=C1CC(N(C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)C2CC2)C(=O)N1.
What is the InChIKey of 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is GZPJCTXCFIHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-17-10-16(18(26)22-17)23(13-6-7-13)19(27)11-5-8-15-14(9-11)21-20(28)24(15)12-3-1-2-4-12/h5,8-9,12-13,16H,1-4,6-7,10H2,(H,21,28)(H,22,25,26).
What are the key properties of 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 136522609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).