[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine

C15H13BrFN3 — CID 104721523

IUPAC[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2ccc(Br)cc2F)nc2c(CN)cccc21
InChIInChI=1S/C15H13BrFN3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)11-6-5-10(16)7-12(11)17/h2-7H,8,18H2,1H3
InChIKeyLIPVHOKIPQEBCV-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.60
Rot. Bonds2

About [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine

[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine (PubChem CID 104721523) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
PubChem CID104721523
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2ccc(Br)cc2F)nc2c(CN)cccc21
InChIInChI=1S/C15H13BrFN3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)11-6-5-10(16)7-12(11)17/h2-7H,8,18H2,1H3
InChIKeyLIPVHOKIPQEBCV-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-2,6-difluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721371
[2-(5-bromo-2-chlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721545
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65037738
[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721409
[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721511
[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
CID 104721477
[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721393
[2-(3-chloro-5-methylphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721567
2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63111708
(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
CID 104721406
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine (CID 104721523) is [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine is Cn1c(-c2ccc(Br)cc2F)nc2c(CN)cccc21.
What is the InChIKey of [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
The InChIKey is LIPVHOKIPQEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-20-13-4-2-3-9(8-18)14(13)19-15(20)11-6-5-10(16)7-12(11)17/h2-7H,8,18H2,1H3.
What are the key properties of [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine has a molecular weight of 334.19 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).