[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine

C14H11ClFN3 — CID 107994630

IUPAC[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc(Cl)c(F)c3)nc12
InChIInChI=1S/C14H11ClFN3/c15-10-5-4-8(6-11(10)16)14-18-12-3-1-2-9(7-17)13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyKFBYFLNLBIZNIS-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.48
Rot. Bonds2

About [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine

[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 107994630) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID107994630
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(-c3ccc(Cl)c(F)c3)nc12
InChIInChI=1S/C14H11ClFN3/c15-10-5-4-8(6-11(10)16)14-18-12-3-1-2-9(7-17)13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyKFBYFLNLBIZNIS-UHFFFAOYSA-N
XLogP3.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721055
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
CID 114024566

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine (CID 107994630) is [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(-c3ccc(Cl)c(F)c3)nc12.
What is the InChIKey of [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is KFBYFLNLBIZNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-10-5-4-8(6-11(10)16)14-18-12-3-1-2-9(7-17)13(12)19-14/h1-6H,7,17H2,(H,18,19).
What are the key properties of [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine?
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 275.71 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 107994630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).