2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone

C18H22FN3O — CID 46109112

IUPAC2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nc2ccc(F)cc2n1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C18H22FN3O/c1-12-20-16-5-4-14(19)11-17(16)22(12)15-6-8-21(9-7-15)18(23)10-13-2-3-13/h4-5,11,13,15H,2-3,6-10H2,1H3
InChIKeyHPMNHVFIRMQFLS-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.45
Rot. Bonds3

About 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone

2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 46109112) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID46109112
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nc2ccc(F)cc2n1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C18H22FN3O/c1-12-20-16-5-4-14(19)11-17(16)22(12)15-6-8-21(9-7-15)18(23)10-13-2-3-13/h4-5,11,13,15H,2-3,6-10H2,1H3
InChIKeyHPMNHVFIRMQFLS-UHFFFAOYSA-N
XLogP3.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
(3S)-1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92767945
(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473
4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 1469458
1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 46081187
[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 46109071
5-[2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155952808
1-cyclopropyl-N-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]methanamine
CID 55067892
[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 46081167
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone (CID 46109112) is 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone is Cc1nc2ccc(F)cc2n1C1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is HPMNHVFIRMQFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12-20-16-5-4-14(19)11-17(16)22(12)15-6-8-21(9-7-15)18(23)10-13-2-3-13/h4-5,11,13,15H,2-3,6-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 315.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46109112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).