2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole

C18H17FN2O — CID 83420113

IUPAC2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
SMILESCOc1ccc2c(c1)nc(C1CC1)n2Cc1ccccc1F
InChIInChI=1S/C18H17FN2O/c1-22-14-8-9-17-16(10-14)20-18(12-6-7-12)21(17)11-13-4-2-3-5-15(13)19/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyFNKHSGGMIKWRGP-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.11
Rot. Bonds4

About 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole

2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole (PubChem CID 83420113) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
PubChem CID83420113
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole
SMILESCOc1ccc2c(c1)nc(C1CC1)n2Cc1ccccc1F
InChIInChI=1S/C18H17FN2O/c1-22-14-8-9-17-16(10-14)20-18(12-6-7-12)21(17)11-13-4-2-3-5-15(13)19/h2-5,8-10,12H,6-7,11H2,1H3
InChIKeyFNKHSGGMIKWRGP-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011264
(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40871186
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82334694
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 102879181
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
N-[(2-fluorophenyl)methyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563672
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82334348
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 10151959

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole?
The IUPAC name of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole (CID 83420113) is 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole?
The canonical SMILES for 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole is COc1ccc2c(c1)nc(C1CC1)n2Cc1ccccc1F.
What is the InChIKey of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole?
The InChIKey is FNKHSGGMIKWRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-22-14-8-9-17-16(10-14)20-18(12-6-7-12)21(17)11-13-4-2-3-5-15(13)19/h2-5,8-10,12H,6-7,11H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole?
2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole has a molecular weight of 296.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methoxybenzimidazole is sourced from PubChem (CID 83420113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).