2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole

C15H13FN2 — CID 60973900

IUPAC2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(Cc3ccccc3F)nc12
InChIInChI=1S/C15H13FN2/c1-10-5-4-8-13-15(10)18-14(17-13)9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKKTCNCLROWDEGR-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.60
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole

2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole (PubChem CID 60973900) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
PubChem CID60973900
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(Cc3ccccc3F)nc12
InChIInChI=1S/C15H13FN2/c1-10-5-4-8-13-15(10)18-14(17-13)9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKKTCNCLROWDEGR-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
2-[(2-fluorophenyl)methyl]-1H-benzimidazole-4-carbonitrile
CID 104720469
2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole
CID 708450
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
CID 64722128
4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
CID 82947392
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
CID 19000532
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
4-fluoro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60977589
2,5-bis[(2,6-difluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 70100769

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole (CID 60973900) is 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(Cc3ccccc3F)nc12.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The InChIKey is KKTCNCLROWDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-10-5-4-8-13-15(10)18-14(17-13)9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole has a molecular weight of 240.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 60973900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).