3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one

C12H13ClN4O — CID 106258982

IUPAC3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(n2c(N)nc3cccc(Cl)c32)C1=O
InChIInChI=1S/C12H13ClN4O/c1-16-6-5-9(11(16)18)17-10-7(13)3-2-4-8(10)15-12(17)14/h2-4,9H,5-6H2,1H3,(H2,14,15)
InChIKeyOLBQAZOHXCROSB-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.68
Rot. Bonds1

About 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one

3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one (PubChem CID 106258982) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one
PubChem CID106258982
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(n2c(N)nc3cccc(Cl)c32)C1=O
InChIInChI=1S/C12H13ClN4O/c1-16-6-5-9(11(16)18)17-10-7(13)3-2-4-8(10)15-12(17)14/h2-4,9H,5-6H2,1H3,(H2,14,15)
InChIKeyOLBQAZOHXCROSB-UHFFFAOYSA-N
XLogP1.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259207
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
CID 156742611
3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258960
3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258949
7-chloro-1-(1,1-dioxothian-4-yl)benzimidazol-2-amine
CID 43662181
7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728859
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
CID 62366094
7-chloro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546773
7-chloro-1-(1-cyclopropylethyl)benzimidazol-2-amine
CID 43662113
7-chloro-1-(oxan-3-yl)benzimidazol-2-amine
CID 63363887
7-chlorobenzimidazole-1,2-diamine
CID 84618531

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one (CID 106258982) is 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one is CN1CCC(n2c(N)nc3cccc(Cl)c32)C1=O.
What is the InChIKey of 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The InChIKey is OLBQAZOHXCROSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-16-6-5-9(11(16)18)17-10-7(13)3-2-4-8(10)15-12(17)14/h2-4,9H,5-6H2,1H3,(H2,14,15).
What are the key properties of 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one has a molecular weight of 264.72 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).