1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine

C17H22FN3 — CID 61290898

IUPAC1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc3c(F)cccc3n2C2CC2)C1
InChIInChI=1S/C17H22FN3/c1-11-4-3-9-17(19,10-11)16-20-15-13(18)5-2-6-14(15)21(16)12-7-8-12/h2,5-6,11-12H,3-4,7-10,19H2,1H3
InChIKeyOVOMJGVSNGITJR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.87
Rot. Bonds2

About 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine

1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine (PubChem CID 61290898) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine
PubChem CID61290898
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc3c(F)cccc3n2C2CC2)C1
InChIInChI=1S/C17H22FN3/c1-11-4-3-9-17(19,10-11)16-20-15-13(18)5-2-6-14(15)21(16)12-7-8-12/h2,5-6,11-12H,3-4,7-10,19H2,1H3
InChIKeyOVOMJGVSNGITJR-UHFFFAOYSA-N
XLogP3.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61291205
1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole
CID 63125197
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261178
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine
CID 62818968
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
1-cyclopropyl-4-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144241
1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
CID 61291804
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 114560830
2-bromo-1-cyclobutyl-4-fluorobenzimidazole
CID 84808519
(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methanol
CID 63756402
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine
CID 60785108

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine (CID 61290898) is 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2nc3c(F)cccc3n2C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
The InChIKey is OVOMJGVSNGITJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-11-4-3-9-17(19,10-11)16-20-15-13(18)5-2-6-14(15)21(16)12-7-8-12/h2,5-6,11-12H,3-4,7-10,19H2,1H3.
What are the key properties of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine?
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 61290898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).