3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

C21H24N4O — CID 129473497

IUPAC3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C21H24N4O/c26-21-15(12-14-6-1-2-7-16(14)24-21)13-25-11-5-10-19(25)20-22-17-8-3-4-9-18(17)23-20/h1-2,6-7,12,19H,3-5,8-11,13H2,(H,22,23)(H,24,26)/t19-/m0/s1
InChIKeyHTZCBZWHAONCHR-IBGZPJMESA-N
MW348.45 g/mol
LogP3.47
Rot. Bonds3

About 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 129473497) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID129473497
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C21H24N4O/c26-21-15(12-14-6-1-2-7-16(14)24-21)13-25-11-5-10-19(25)20-22-17-8-3-4-9-18(17)23-20/h1-2,6-7,12,19H,3-5,8-11,13H2,(H,22,23)(H,24,26)/t19-/m0/s1
InChIKeyHTZCBZWHAONCHR-IBGZPJMESA-N
XLogP3.47
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 128967624
3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95780229
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999927
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983514
5-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiophene-3-carbonitrile
CID 128979943
4-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 128979973
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56718060
N-methyl-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128973937

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 129473497) is 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2.
What is the InChIKey of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is HTZCBZWHAONCHR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c26-21-15(12-14-6-1-2-7-16(14)24-21)13-25-11-5-10-19(25)20-22-17-8-3-4-9-18(17)23-20/h1-2,6-7,12,19H,3-5,8-11,13H2,(H,22,23)(H,24,26)/t19-/m0/s1.
What are the key properties of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 129473497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).