1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one

C21H21N5O — CID 70020244

IUPAC1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one
SMILESO=c1cc(NC[C@@H]2CCCN2)c2ccccc2n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O/c27-20-12-18(23-13-14-6-5-11-22-14)15-7-1-4-10-19(15)26(20)21-24-16-8-2-3-9-17(16)25-21/h1-4,7-10,12,14,22-23H,5-6,11,13H2,(H,24,25)/t14-/m0/s1
InChIKeyCPHODGZDMOPNDB-AWEZNQCLSA-N
MW359.43 g/mol
LogP3.03
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one

1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one (PubChem CID 70020244) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one
PubChem CID70020244
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one
SMILESO=c1cc(NC[C@@H]2CCCN2)c2ccccc2n1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H21N5O/c27-20-12-18(23-13-14-6-5-11-22-14)15-7-1-4-10-19(15)26(20)21-24-16-8-2-3-9-17(16)25-21/h1-4,7-10,12,14,22-23H,5-6,11,13H2,(H,24,25)/t14-/m0/s1
InChIKeyCPHODGZDMOPNDB-AWEZNQCLSA-N
XLogP3.03
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 22037023
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1H-benzimidazole
CID 97166285
2-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]-1H-benzimidazole
CID 97165961
3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141086265
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 130365852
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine
CID 115208111
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one (CID 70020244) is 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one is O=c1cc(NC[C@@H]2CCCN2)c2ccccc2n1-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one?
The InChIKey is CPHODGZDMOPNDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N5O/c27-20-12-18(23-13-14-6-5-11-22-14)15-7-1-4-10-19(15)26(20)21-24-16-8-2-3-9-17(16)25-21/h1-4,7-10,12,14,22-23H,5-6,11,13H2,(H,24,25)/t14-/m0/s1.
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one?
1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-[[(2S)-pyrrolidin-2-yl]methylamino]quinolin-2-one is sourced from PubChem (CID 70020244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).