[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine

C15H13Cl2N3 — CID 104721393

IUPAC[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)nc2c(CN)cccc21
InChIInChI=1S/C15H13Cl2N3/c1-20-13-4-2-3-10(8-18)14(13)19-15(20)9-5-6-11(16)12(17)7-9/h2-7H,8,18H2,1H3
InChIKeyZQCVYGHWQRIOES-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.01
Rot. Bonds2

About [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine

[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine (PubChem CID 104721393) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
PubChem CID104721393
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
SMILESCn1c(-c2ccc(Cl)c(Cl)c2)nc2c(CN)cccc21
InChIInChI=1S/C15H13Cl2N3/c1-20-13-4-2-3-10(8-18)14(13)19-15(20)9-5-6-11(16)12(17)7-9/h2-7H,8,18H2,1H3
InChIKeyZQCVYGHWQRIOES-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-5-methylphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721567
[2-(5-bromo-2-chlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721545
[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
CID 104721477
(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
CID 104721406
[2-(4-bromo-2,6-difluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721371
[2-(4,5-dibromothiophen-2-yl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721511
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721523
[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
CID 104721357
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
[2-(2-bromo-5-methoxyphenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721409
[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine
CID 104721561
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
The IUPAC name of [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine (CID 104721393) is [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine is Cn1c(-c2ccc(Cl)c(Cl)c2)nc2c(CN)cccc21.
What is the InChIKey of [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
The InChIKey is ZQCVYGHWQRIOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-20-13-4-2-3-10(8-18)14(13)19-15(20)9-5-6-11(16)12(17)7-9/h2-7H,8,18H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine?
[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine has a molecular weight of 306.20 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).