5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one

C23H26N4O — CID 76900198

IUPAC5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C3CCN(Cc4cncc(C5=CCCC5)c4)CC3)cc2[nH]1
InChIInChI=1S/C23H26N4O/c28-23-25-21-6-5-19(12-22(21)26-23)18-7-9-27(10-8-18)15-16-11-20(14-24-13-16)17-3-1-2-4-17/h3,5-6,11-14,18H,1-2,4,7-10,15H2,(H2,25,26,28)
InChIKeyPWXMEWXNAIZCSF-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.20
Rot. Bonds4

About 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one

5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 76900198) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID76900198
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C3CCN(Cc4cncc(C5=CCCC5)c4)CC3)cc2[nH]1
InChIInChI=1S/C23H26N4O/c28-23-25-21-6-5-19(12-22(21)26-23)18-7-9-27(10-8-18)15-16-11-20(14-24-13-16)17-3-1-2-4-17/h3,5-6,11-14,18H,1-2,4,7-10,15H2,(H2,25,26,28)
InChIKeyPWXMEWXNAIZCSF-UHFFFAOYSA-N
XLogP4.20
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

5-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 87801453
5-[1-[9-methyl-8-(5-methyl-3-pyridinyl)purin-6-yl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 87157781
4-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol
CID 136643211
6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 19863642
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole
CID 134330006
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381235
2-(1-prop-2-ynylpiperidin-4-yl)-1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethanone
CID 123243314
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-2H-indazole-3-carbaldehyde
CID 123662374
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 89450524

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 76900198) is 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C3CCN(Cc4cncc(C5=CCCC5)c4)CC3)cc2[nH]1.
What is the InChIKey of 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PWXMEWXNAIZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23-25-21-6-5-19(12-22(21)26-23)18-7-9-27(10-8-18)15-16-11-20(14-24-13-16)17-3-1-2-4-17/h3,5-6,11-14,18H,1-2,4,7-10,15H2,(H2,25,26,28).
What are the key properties of 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 374.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-(cyclopenten-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 76900198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).