1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one

C16H16N4O — CID 174698685

IUPAC1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cn1c(-c2ccc[nH]2)nc2ccccc21
InChIInChI=1S/C16H16N4O/c21-15-8-4-10-19(15)11-20-14-7-2-1-5-12(14)18-16(20)13-6-3-9-17-13/h1-3,5-7,9,17H,4,8,10-11H2
InChIKeyIYVYDTFCTAKEOC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.61
Rot. Bonds3

About 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one

1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 174698685) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID174698685
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cn1c(-c2ccc[nH]2)nc2ccccc21
InChIInChI=1S/C16H16N4O/c21-15-8-4-10-19(15)11-20-14-7-2-1-5-12(14)18-16(20)13-6-3-9-17-13/h1-3,5-7,9,17H,4,8,10-11H2
InChIKeyIYVYDTFCTAKEOC-UHFFFAOYSA-N
XLogP2.61
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-2-ylmethyl)benzimidazole
CID 136671113
2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
CID 175377923
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 1490189
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 53062491
3,4-dihydro-2H-pyrido[1,2-a]benzimidazol-1-one
CID 14171670
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
3-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 60502137
1-[3-[[2-[(1-methylbenzimidazol-2-yl)amino]-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117081234
4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
CID 3600029
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one (CID 174698685) is 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cn1c(-c2ccc[nH]2)nc2ccccc21.
What is the InChIKey of 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is IYVYDTFCTAKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-15-8-4-10-19(15)11-20-14-7-2-1-5-12(14)18-16(20)13-6-3-9-17-13/h1-3,5-7,9,17H,4,8,10-11H2.
What are the key properties of 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one?
1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 174698685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).