1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine

C14H11ClFN3 — CID 60789953

IUPAC1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccccc1Cl
InChIInChI=1S/C14H11ClFN3/c15-10-5-2-1-4-9(10)8-19-12-7-3-6-11(16)13(12)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyOUQSFNRHPJJVLD-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.46
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine

1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine (PubChem CID 60789953) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
PubChem CID60789953
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccccc1Cl
InChIInChI=1S/C14H11ClFN3/c15-10-5-2-1-4-9(10)8-19-12-7-3-6-11(16)13(12)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyOUQSFNRHPJJVLD-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.46
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-chloro-1-[(2,5-difluorophenyl)methyl]benzimidazol-2-amine
CID 104837124
4-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 60788968
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
1-[2-(4-chlorophenyl)ethyl]-4-fluorobenzimidazol-2-amine
CID 61380518
1-[(3-ethyl-2-pyridinyl)methyl]-4-fluorobenzimidazol-2-amine
CID 82742340
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
4-(aminomethyl)-1-benzylbenzimidazol-2-amine
CID 84804264
4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406056
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 55171384
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine (CID 60789953) is 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine?
The InChIKey is OUQSFNRHPJJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-10-5-2-1-4-9(10)8-19-12-7-3-6-11(16)13(12)18-14(19)17/h1-7H,8H2,(H2,17,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine?
1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine has a molecular weight of 275.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 60789953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).