[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine

C16H15ClFN3 — CID 104721561

IUPAC[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(Cc2c(F)cccc2Cl)nc2c(CN)cccc21
InChIInChI=1S/C16H15ClFN3/c1-21-14-7-2-4-10(9-19)16(14)20-15(21)8-11-12(17)5-3-6-13(11)18/h2-7H,8-9,19H2,1H3
InChIKeyQATLLPYRGWZXBL-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.42
Rot. Bonds3

About [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine

[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine (PubChem CID 104721561) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine
PubChem CID104721561
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(Cc2c(F)cccc2Cl)nc2c(CN)cccc21
InChIInChI=1S/C16H15ClFN3/c1-21-14-7-2-4-10(9-19)16(14)20-15(21)8-11-12(17)5-3-6-13(11)18/h2-7H,8-9,19H2,1H3
InChIKeyQATLLPYRGWZXBL-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
CID 104721374
[2-(2-methoxy-2-methylpropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 103022652
[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721393
2-[(2-chlorophenyl)methyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720876
[2-(4-bromo-2,6-difluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721371
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
[5-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593104
[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721481
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine (CID 104721561) is [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine is Cn1c(Cc2c(F)cccc2Cl)nc2c(CN)cccc21.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine?
The InChIKey is QATLLPYRGWZXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-21-14-7-2-4-10(9-19)16(14)20-15(21)8-11-12(17)5-3-6-13(11)18/h2-7H,8-9,19H2,1H3.
What are the key properties of [2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine?
[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine has a molecular weight of 303.77 g/mol, XLogP of 3.42, 3 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)methyl]-1-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).