1-[(2-fluorophenyl)methyl]benzimidazol-2-amine

C14H12FN3 — CID 886688

IUPAC1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C14H12FN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKeyKZJYMIFKYKVCQC-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.81
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine

1-[(2-fluorophenyl)methyl]benzimidazol-2-amine (PubChem CID 886688) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
PubChem CID886688
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C14H12FN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
InChIKeyKZJYMIFKYKVCQC-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 54920355
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262927
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
1-(1H-indol-4-ylmethyl)benzimidazol-2-amine
CID 141314426
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815
6-bromo-1-[2-(2-fluorophenyl)ethyl]benzimidazol-2-amine
CID 65347258
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
CID 60789953
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
CID 18877735
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
(Z)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 166606602

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine (CID 886688) is 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine is Nc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is KZJYMIFKYKVCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17).
What are the key properties of 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 241.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 886688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).