5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one

C23H28FN3O — CID 10110395

IUPAC5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CCCc1ccc(F)cc1)C1CCC(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C23H28FN3O/c1-27(14-2-3-16-4-9-19(24)10-5-16)20-11-6-17(7-12-20)18-8-13-21-22(15-18)26-23(28)25-21/h4-5,8-10,13,15,17,20H,2-3,6-7,11-12,14H2,1H3,(H2,25,26,28)
InChIKeyMQQLMVLMGIOXHM-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.59
Rot. Bonds6

About 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one

5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 10110395) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID10110395
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CCCc1ccc(F)cc1)C1CCC(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C23H28FN3O/c1-27(14-2-3-16-4-9-19(24)10-5-16)20-11-6-17(7-12-20)18-8-13-21-22(15-18)26-23(28)25-21/h4-5,8-10,13,15,17,20H,2-3,6-7,11-12,14H2,1H3,(H2,25,26,28)
InChIKeyMQQLMVLMGIOXHM-UHFFFAOYSA-N
XLogP4.59
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one (CID 10110395) is 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one is CN(CCCc1ccc(F)cc1)C1CCC(c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MQQLMVLMGIOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-27(14-2-3-16-4-9-19(24)10-5-16)20-11-6-17(7-12-20)18-8-13-21-22(15-18)26-23(28)25-21/h4-5,8-10,13,15,17,20H,2-3,6-7,11-12,14H2,1H3,(H2,25,26,28).
What are the key properties of 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 381.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-fluorophenyl)propyl-methylamino]cyclohexyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 10110395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).