3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one

C20H18N4O — CID 135464161

IUPAC3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(N2CCCC2)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O/c25-20-17(19-21-15-9-3-4-10-16(15)22-19)18(24-11-5-6-12-24)13-7-1-2-8-14(13)23-20/h1-4,7-10H,5-6,11-12H2,(H,21,22)(H,23,25)
InChIKeyHDBOHJJRWWZZQP-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.67
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one

3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one (PubChem CID 135464161) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
PubChem CID135464161
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(N2CCCC2)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O/c25-20-17(19-21-15-9-3-4-10-16(15)22-19)18(24-11-5-6-12-24)13-7-1-2-8-14(13)23-20/h1-4,7-10H,5-6,11-12H2,(H,21,22)(H,23,25)
InChIKeyHDBOHJJRWWZZQP-UHFFFAOYSA-N
XLogP3.67
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
CID 135674129
3-pyrrolidin-1-yl-1H-indol-2-olate
CID 134860496
4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135496141
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(6-hydroxy-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 135520151
3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(3-pyrrolidin-1-ylpropylamino)-1H-quinolin-2-one
CID 89453725
CID 20700346
CID 20700346
4-amino-3-(1H-benzimidazol-2-yl)-5-(dimethylamino)-1H-quinolin-2-one
CID 136599885
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
3-[4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-2-oxo-7-piperidin-1-yl-1H-quinolin-6-yl]benzoic acid
CID 89453368
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-6-thiophen-3-yl-1H-quinolin-2-one
CID 136599616
3-(1H-benzimidazol-2-yl)-6-methyl-4-(piperidin-4-ylamino)-1H-quinolin-2-one
CID 135489323
4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 145214385

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one (CID 135464161) is 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(N2CCCC2)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
The InChIKey is HDBOHJJRWWZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20-17(19-21-15-9-3-4-10-16(15)22-19)18(24-11-5-6-12-24)13-7-1-2-8-14(13)23-20/h1-4,7-10H,5-6,11-12H2,(H,21,22)(H,23,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one is sourced from PubChem (CID 135464161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).