N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide

C20H22N4O2 — CID 110417561

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22N4O2/c25-19(15-7-9-16(10-8-15)23-12-3-4-13-23)21-11-14-24-18-6-2-1-5-17(18)22-20(24)26/h1-2,5-10H,3-4,11-14H2,(H,21,25)(H,22,26)
InChIKeyXFXMTQPBFDDWOL-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 110417561) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID110417561
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc21)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22N4O2/c25-19(15-7-9-16(10-8-15)23-12-3-4-13-23)21-11-14-24-18-6-2-1-5-17(18)22-20(24)26/h1-2,5-10H,3-4,11-14H2,(H,21,25)(H,22,26)
InChIKeyXFXMTQPBFDDWOL-UHFFFAOYSA-N
XLogP2.36
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400751
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
CID 126799132
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726
3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110610885
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-4-methylbenzamide
CID 110396409
(2R)-1-(cyclopropanecarbonyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 97338296
3-amino-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119813057
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
CID 146129531
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide (CID 110417561) is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide is O=C(NCCn1c(=O)[nH]c2ccccc21)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is XFXMTQPBFDDWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(15-7-9-16(10-8-15)23-12-3-4-13-23)21-11-14-24-18-6-2-1-5-17(18)22-20(24)26/h1-2,5-10H,3-4,11-14H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 110417561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).