1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole

C15H13FN2 — CID 888750

IUPAC1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyKSSXSCMKCVTSTB-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.53
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole

1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole (PubChem CID 888750) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole
PubChem CID888750
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyKSSXSCMKCVTSTB-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole (CID 888750) is 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole?
The InChIKey is KSSXSCMKCVTSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole?
1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole has a molecular weight of 240.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).