4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide

C16H18F3N3O — CID 146084625

IUPAC4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1nc2ccc(F)cc2[nH]1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H18F3N3O/c17-11-1-2-12-13(9-11)22-14(21-12)5-8-20-15(23)10-3-6-16(18,19)7-4-10/h1-2,9-10H,3-8H2,(H,20,23)(H,21,22)
InChIKeyRBMIPLDKIPVWHJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.19
Rot. Bonds4

About 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 146084625) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID146084625
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1nc2ccc(F)cc2[nH]1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H18F3N3O/c17-11-1-2-12-13(9-11)22-14(21-12)5-8-20-15(23)10-3-6-16(18,19)7-4-10/h1-2,9-10H,3-8H2,(H,20,23)(H,21,22)
InChIKeyRBMIPLDKIPVWHJ-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187076
(2S,3S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methyloxane-3-carboxamide
CID 129399604
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885829
(2S,5R)-5-(aminomethyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 120801404
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
(3S)-3-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97196027
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 146084625) is 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide is O=C(NCCc1nc2ccc(F)cc2[nH]1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is RBMIPLDKIPVWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-11-1-2-12-13(9-11)22-14(21-12)5-8-20-15(23)10-3-6-16(18,19)7-4-10/h1-2,9-10H,3-8H2,(H,20,23)(H,21,22).
What are the key properties of 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 146084625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).