1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine

C16H22FN3O — CID 79871652

IUPAC1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2C1CCCCC1(C)C
InChIInChI=1S/C16H22FN3O/c1-16(2)7-5-4-6-14(16)20-12-9-13(21-3)10(17)8-11(12)19-15(20)18/h8-9,14H,4-7H2,1-3H3,(H2,18,19)
InChIKeySNIUUEBHVSSWHW-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.91
Rot. Bonds2

About 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine

1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine (PubChem CID 79871652) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine
PubChem CID79871652
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2C1CCCCC1(C)C
InChIInChI=1S/C16H22FN3O/c1-16(2)7-5-4-6-14(16)20-12-9-13(21-3)10(17)8-11(12)19-15(20)18/h8-9,14H,4-7H2,1-3H3,(H2,18,19)
InChIKeySNIUUEBHVSSWHW-UHFFFAOYSA-N
XLogP3.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
CID 63598582
1-N-(2,2-dimethylcyclohexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 79861652
3-(2,2-dimethylcyclopentyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322489
2-(chloromethyl)-1-(2,2-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazole
CID 79870633
1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552593
5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 63597894
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182
6-bromo-2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-5-fluorobenzimidazole
CID 116739217
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 63924917

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine (CID 79871652) is 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The InChIKey is SNIUUEBHVSSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-16(2)7-5-4-6-14(16)20-12-9-13(21-3)10(17)8-11(12)19-15(20)18/h8-9,14H,4-7H2,1-3H3,(H2,18,19).
What are the key properties of 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 79871652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).