5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine

C14H17ClFN3 — CID 66079071

IUPAC5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
SMILESCC1CCCCC1n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H17ClFN3/c1-8-4-2-3-5-12(8)19-13-7-10(16)9(15)6-11(13)18-14(19)17/h6-8,12H,2-5H2,1H3,(H2,17,18)
InChIKeyYTMKMSRDIFZWQP-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.16
Rot. Bonds1

About 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine (PubChem CID 66079071) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
PubChem CID66079071
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
SMILESCC1CCCCC1n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C14H17ClFN3/c1-8-4-2-3-5-12(8)19-13-7-10(16)9(15)6-11(13)18-14(19)17/h6-8,12H,2-5H2,1H3,(H2,17,18)
InChIKeyYTMKMSRDIFZWQP-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66078877
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077934
5-chloro-6-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729176
1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101762
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66088621
5-chloro-1-(2,6-dimethylpiperidin-1-yl)-6-fluorobenzimidazol-2-amine
CID 83018266
1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101388
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 43661615
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
CID 66110630
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
CID 63598582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine (CID 66079071) is 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine is CC1CCCCC1n1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine?
The InChIKey is YTMKMSRDIFZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-8-4-2-3-5-12(8)19-13-7-10(16)9(15)6-11(13)18-14(19)17/h6-8,12H,2-5H2,1H3,(H2,17,18).
What are the key properties of 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine has a molecular weight of 281.76 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine is sourced from PubChem (CID 66079071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).