3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C23H21FN4O2 — CID 46407972

IUPAC3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H21FN4O2/c1-14-12-18(17-7-6-15(24)13-20(17)25-14)22(29)27-10-8-16(9-11-27)28-21-5-3-2-4-19(21)26-23(28)30/h2-7,12-13,16H,8-11H2,1H3,(H,26,30)
InChIKeyTWHWLDIEWBJZBU-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.80
Rot. Bonds2

About 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 46407972) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID46407972
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H21FN4O2/c1-14-12-18(17-7-6-15(24)13-20(17)25-14)22(29)27-10-8-16(9-11-27)28-21-5-3-2-4-19(21)26-23(28)30/h2-7,12-13,16H,8-11H2,1H3,(H,26,30)
InChIKeyTWHWLDIEWBJZBU-UHFFFAOYSA-N
XLogP3.80
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[5-fluoro-2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757507
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(2-methyl-5-methylsulfanylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 52559061
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
(7-fluoro-2-methylquinolin-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203565
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55956901
(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503809
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729

Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 46407972) is 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccc(F)cc2n1.
What is the InChIKey of 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is TWHWLDIEWBJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-12-18(17-7-6-15(24)13-20(17)25-14)22(29)27-10-8-16(9-11-27)28-21-5-3-2-4-19(21)26-23(28)30/h2-7,12-13,16H,8-11H2,1H3,(H,26,30).
What are the key properties of 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 404.45 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 46407972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).