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

C22H23N5O — CID 135674129

IUPAC3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(NCC2CCNCC2)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H23N5O/c28-22-19(21-25-17-7-3-4-8-18(17)26-21)20(15-5-1-2-6-16(15)27-22)24-13-14-9-11-23-12-10-14/h1-8,14,23H,9-13H2,(H,25,26)(H2,24,27,28)
InChIKeyWEZLSLVHHILOGK-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.48
Rot. Bonds4

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

3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one (PubChem CID 135674129) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
PubChem CID135674129
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(NCC2CCNCC2)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H23N5O/c28-22-19(21-25-17-7-3-4-8-18(17)26-21)20(15-5-1-2-6-16(15)27-22)24-13-14-9-11-23-12-10-14/h1-8,14,23H,9-13H2,(H,25,26)(H2,24,27,28)
InChIKeyWEZLSLVHHILOGK-UHFFFAOYSA-N
XLogP3.48
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloro-1H-benzimidazol-2-yl)-6,7-difluoro-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one
CID 89453920
3-(1H-benzimidazol-2-yl)-6-methyl-4-(piperidin-4-ylamino)-1H-quinolin-2-one
CID 135489323
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(6-hydroxy-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 135520151
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
3-(1H-benzimidazol-2-yl)-7-chloro-4-[(6-piperidin-3-yloxy-3-pyridinyl)methylamino]-1H-quinolin-2-one
CID 89453328
4-(2-aminoethylamino)-3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-1H-quinolin-2-one
CID 89453833
3-(1H-benzimidazol-2-yl)-4-pyrrolidin-1-yl-1H-quinolin-2-one
CID 135464161
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
3-(1H-benzimidazol-2-yl)-6,7-dimethoxy-4-(3-pyrrolidin-1-ylpropylamino)-1H-quinolin-2-one
CID 89453725
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-7-[3-(2-oxopyrrolidin-1-yl)propylamino]-1H-quinolin-2-one
CID 89453662
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-7-fluoro-1H-quinolin-2-one;4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-(1H-benzimidazol-2-yl)-7-morpholin-4-yl-1H-quinolin-2-one;morpholine
CID 159965610
4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-6-fluoro-7-(2-hydroxyethylamino)-1H-quinolin-2-one
CID 89453736

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one (CID 135674129) is 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(NCC2CCNCC2)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one?
The InChIKey is WEZLSLVHHILOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22-19(21-25-17-7-3-4-8-18(17)26-21)20(15-5-1-2-6-16(15)27-22)24-13-14-9-11-23-12-10-14/h1-8,14,23H,9-13H2,(H,25,26)(H2,24,27,28).
What are the key properties of 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one?
3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-4-(piperidin-4-ylmethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 135674129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).