[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine

C15H13ClFN3 — CID 65040058

IUPAC[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2c(F)cccc2Cl)nc2cc(CN)ccc21
InChIInChI=1S/C15H13ClFN3/c1-20-13-6-5-9(8-18)7-12(13)19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,8,18H2,1H3
InChIKeyXTVRODLGZZMRRE-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.49
Rot. Bonds2

About [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine

[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine (PubChem CID 65040058) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
PubChem CID65040058
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2c(F)cccc2Cl)nc2cc(CN)ccc21
InChIInChI=1S/C15H13ClFN3/c1-20-13-6-5-9(8-18)7-12(13)19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,8,18H2,1H3
InChIKeyXTVRODLGZZMRRE-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine (CID 65040058) is [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine is Cn1c(-c2c(F)cccc2Cl)nc2cc(CN)ccc21.
What is the InChIKey of [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine?
The InChIKey is XTVRODLGZZMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-20-13-6-5-9(8-18)7-12(13)19-15(20)14-10(16)3-2-4-11(14)17/h2-7H,8,18H2,1H3.
What are the key properties of [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine?
[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine has a molecular weight of 289.74 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65040058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).