4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide

C19H26N4O2 — CID 121193865

IUPAC4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide
SMILESCC(C)(C)NC(=O)CCC(=O)N1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)21-17(24)8-9-18(25)22-11-10-14(12-22)23-13-20-15-6-4-5-7-16(15)23/h4-7,13-14H,8-12H2,1-3H3,(H,21,24)
InChIKeyOMYHQDHIWFEEDG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.50
Rot. Bonds4

About 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide

4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide (PubChem CID 121193865) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide
PubChem CID121193865
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide
SMILESCC(C)(C)NC(=O)CCC(=O)N1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)21-17(24)8-9-18(25)22-11-10-14(12-22)23-13-20-15-6-4-5-7-16(15)23/h4-7,13-14H,8-12H2,1-3H3,(H,21,24)
InChIKeyOMYHQDHIWFEEDG-UHFFFAOYSA-N
XLogP2.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121193761
tert-butyl 2-[3-(benzimidazol-1-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 121193850
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 121193758
1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 121193826
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 46090271
1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 171137248
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-(2-chloro-5-fluorophenyl)methanone
CID 121193749
4-(benzimidazol-1-yl)-N-propylpiperidine-1-carbothioamide
CID 3219909
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119484326

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide?
The IUPAC name of 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide (CID 121193865) is 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide.
What is the SMILES notation for 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide?
The canonical SMILES for 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide is CC(C)(C)NC(=O)CCC(=O)N1CCC(n2cnc3ccccc32)C1.
What is the InChIKey of 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide?
The InChIKey is OMYHQDHIWFEEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)21-17(24)8-9-18(25)22-11-10-14(12-22)23-13-20-15-6-4-5-7-16(15)23/h4-7,13-14H,8-12H2,1-3H3,(H,21,24).
What are the key properties of 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide?
4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide has a molecular weight of 342.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-N-tert-butyl-4-oxobutanamide is sourced from PubChem (CID 121193865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).