(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol

C19H17FN4O — CID 99827979

IUPAC(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol
SMILESCn1c(Cn2ccnc2[C@@H](O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H17FN4O/c1-23-16-5-3-2-4-15(16)22-17(23)12-24-11-10-21-19(24)18(25)13-6-8-14(20)9-7-13/h2-11,18,25H,12H2,1H3/t18-/m0/s1
InChIKeyOYJJMEOLFWCTDY-SFHVURJKSA-N
MW336.37 g/mol
LogP3.04
Rot. Bonds4

About (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol

(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol (PubChem CID 99827979) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol
PubChem CID99827979
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol
SMILESCn1c(Cn2ccnc2[C@@H](O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H17FN4O/c1-23-16-5-3-2-4-15(16)22-17(23)12-24-11-10-21-19(24)18(25)13-6-8-14(20)9-7-13/h2-11,18,25H,12H2,1H3/t18-/m0/s1
InChIKeyOYJJMEOLFWCTDY-SFHVURJKSA-N
XLogP3.04
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699872
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
(S)-(4-fluorophenyl)-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]imidazol-2-yl]methanol
CID 99828125
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
(4-fluorophenyl)-[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazol-2-yl]methanol
CID 155949211
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[(4-fluorophenyl)-hydroxymethyl]imidazol-1-yl]ethanone
CID 119044339

Frequently Asked Questions

What is the IUPAC name of (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol?
The IUPAC name of (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol (CID 99827979) is (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol is Cn1c(Cn2ccnc2[C@@H](O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol?
The InChIKey is OYJJMEOLFWCTDY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-23-16-5-3-2-4-15(16)22-17(23)12-24-11-10-21-19(24)18(25)13-6-8-14(20)9-7-13/h2-11,18,25H,12H2,1H3/t18-/m0/s1.
What are the key properties of (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol?
(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol has a molecular weight of 336.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 99827979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).