5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine

C16H22FN3 — CID 103592850

IUPAC5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CC1CCCCC1C
InChIInChI=1S/C16H22FN3/c1-10-5-3-4-6-12(10)9-20-15-7-11(2)13(17)8-14(15)19-16(20)18/h7-8,10,12H,3-6,9H2,1-2H3,(H2,18,19)
InChIKeyMSOQECDOZGZKPD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.89
Rot. Bonds2

About 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine

5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine (PubChem CID 103592850) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine
PubChem CID103592850
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2CC1CCCCC1C
InChIInChI=1S/C16H22FN3/c1-10-5-3-4-6-12(10)9-20-15-7-11(2)13(17)8-14(15)19-16(20)18/h7-8,10,12H,3-6,9H2,1-2H3,(H2,18,19)
InChIKeyMSOQECDOZGZKPD-UHFFFAOYSA-N
XLogP3.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592949
3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 103593026
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
5-methyl-3-[(2-methylcyclopentyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 107419626
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 103593098
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 103593126
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
CID 63496687

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine (CID 103592850) is 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2CC1CCCCC1C.
What is the InChIKey of 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine?
The InChIKey is MSOQECDOZGZKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-10-5-3-4-6-12(10)9-20-15-7-11(2)13(17)8-14(15)19-16(20)18/h7-8,10,12H,3-6,9H2,1-2H3,(H2,18,19).
What are the key properties of 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine?
5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 103592850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).