4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one

C12H14N4O — CID 106186996

IUPAC4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
SMILESCc1nc2cc(N)ccc2n1C1CNC(=O)C1
InChIInChI=1S/C12H14N4O/c1-7-15-10-4-8(13)2-3-11(10)16(7)9-5-12(17)14-6-9/h2-4,9H,5-6,13H2,1H3,(H,14,17)
InChIKeyTXGKLWHQCWGGLA-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.99
Rot. Bonds1

About 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one

4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one (PubChem CID 106186996) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
PubChem CID106186996
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
SMILESCc1nc2cc(N)ccc2n1C1CNC(=O)C1
InChIInChI=1S/C12H14N4O/c1-7-15-10-4-8(13)2-3-11(10)16(7)9-5-12(17)14-6-9/h2-4,9H,5-6,13H2,1H3,(H,14,17)
InChIKeyTXGKLWHQCWGGLA-UHFFFAOYSA-N
XLogP0.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one
CID 63662334
5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one
CID 63662164
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
CID 114541151
2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 62506404
2-methylbenzimidazole-1,5-diamine
CID 83418174
4-(2-amino-6-bromobenzimidazol-1-yl)pyrrolidin-2-one
CID 106186768
4-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-2-one
CID 106186692
4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one
CID 114155594
2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine
CID 114112055
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62842817
2-[5-chloro-1-(5-oxopyrrolidin-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106188695

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one (CID 106186996) is 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one is Cc1nc2cc(N)ccc2n1C1CNC(=O)C1.
What is the InChIKey of 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one?
The InChIKey is TXGKLWHQCWGGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-15-10-4-8(13)2-3-11(10)16(7)9-5-12(17)14-6-9/h2-4,9H,5-6,13H2,1H3,(H,14,17).
What are the key properties of 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one?
4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 106186996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).