N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C15H18N4O2 — CID 110796152

IUPACN-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCn1cnc2cc(CCNC(=O)C3CCC(=O)N3)ccc21
InChIInChI=1S/C15H18N4O2/c1-19-9-17-12-8-10(2-4-13(12)19)6-7-16-15(21)11-3-5-14(20)18-11/h2,4,8-9,11H,3,5-7H2,1H3,(H,16,21)(H,18,20)
InChIKeyQZEGQTUWEJWDSK-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.51
Rot. Bonds4

About N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110796152) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110796152
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCn1cnc2cc(CCNC(=O)C3CCC(=O)N3)ccc21
InChIInChI=1S/C15H18N4O2/c1-19-9-17-12-8-10(2-4-13(12)19)6-7-16-15(21)11-3-5-14(20)18-11/h2,4,8-9,11H,3,5-7H2,1H3,(H,16,21)(H,18,20)
InChIKeyQZEGQTUWEJWDSK-UHFFFAOYSA-N
XLogP0.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
N-[2-(3-chloro-4-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795926
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146133576
N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795843
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110666431
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
CID 110791642

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110796152) is N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cn1cnc2cc(CCNC(=O)C3CCC(=O)N3)ccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QZEGQTUWEJWDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-9-17-12-8-10(2-4-13(12)19)6-7-16-15(21)11-3-5-14(20)18-11/h2,4,8-9,11H,3,5-7H2,1H3,(H,16,21)(H,18,20).
What are the key properties of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110796152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).