2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol

C14H18FN3O2 — CID 63598582

IUPAC2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
SMILESCOc1cc2c(cc1F)nc(N)n2C1CCCCC1O
InChIInChI=1S/C14H18FN3O2/c1-20-13-7-11-9(6-8(13)15)17-14(16)18(11)10-4-2-3-5-12(10)19/h6-7,10,12,19H,2-5H2,1H3,(H2,16,17)
InChIKeyOZTGHTJSKGNJFQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.24
Rot. Bonds2

About 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol

2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol (PubChem CID 63598582) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
PubChem CID63598582
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
SMILESCOc1cc2c(cc1F)nc(N)n2C1CCCCC1O
InChIInChI=1S/C14H18FN3O2/c1-20-13-7-11-9(6-8(13)15)17-14(16)18(11)10-4-2-3-5-12(10)19/h6-7,10,12,19H,2-5H2,1H3,(H2,16,17)
InChIKeyOZTGHTJSKGNJFQ-UHFFFAOYSA-N
XLogP2.24
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
1-(2,2-dimethylcyclohexyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 79871652
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177
2-(2-amino-4-fluorobenzimidazol-1-yl)cyclohexan-1-ol
CID 62359258
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 63597894
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592630
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 63924917
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol (CID 63598582) is 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol is COc1cc2c(cc1F)nc(N)n2C1CCCCC1O.
What is the InChIKey of 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is OZTGHTJSKGNJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-20-13-7-11-9(6-8(13)15)17-14(16)18(11)10-4-2-3-5-12(10)19/h6-7,10,12,19H,2-5H2,1H3,(H2,16,17).
What are the key properties of 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol?
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 279.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 63598582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).