1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole

C16H14BrClN2 — CID 107085713

IUPAC1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3ccc(CBr)cc3Cl)c2cc1C
InChIInChI=1S/C16H14BrClN2/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-12(8-17)7-13(15)18/h3-7,9H,8H2,1-2H3
InChIKeyUWTPPTOZONEGQQ-UHFFFAOYSA-N
MW349.66 g/mol
LogP5.19
Rot. Bonds2

About 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole

1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole (PubChem CID 107085713) has the molecular formula C16H14BrClN2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole
PubChem CID107085713
Molecular FormulaC16H14BrClN2
Molecular Weight349.66 g/mol
Exact Mass348.00
IUPAC Name1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3ccc(CBr)cc3Cl)c2cc1C
InChIInChI=1S/C16H14BrClN2/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-12(8-17)7-13(15)18/h3-7,9H,8H2,1-2H3
InChIKeyUWTPPTOZONEGQQ-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.66
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-(chloromethyl)phenyl]-5,6-dimethylbenzimidazole
CID 81152281
2-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine
CID 81159919
[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine
CID 62492660
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
CID 107085938
[6-(5,6-dimethylbenzimidazol-1-yl)-3-pyridinyl]methanol
CID 61258131
4-chloro-2-(5,6-dimethylbenzimidazol-1-yl)benzaldehyde
CID 114844606
1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
CID 104778657
2-chloro-5-[(5,6-dimethylbenzimidazol-1-yl)methyl]aniline
CID 43349889
5-bromo-2-(5,6-dimethylbenzimidazol-1-yl)benzonitrile
CID 114890912
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine
CID 62306759
1-[4-(bromomethyl)-1,3-dimethylpyrazol-5-yl]-5,6-dimethylbenzimidazole
CID 107085724

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole (CID 107085713) is 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(-c3ccc(CBr)cc3Cl)c2cc1C.
What is the InChIKey of 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole?
The InChIKey is UWTPPTOZONEGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2/c1-10-5-14-16(6-11(10)2)20(9-19-14)15-4-3-12(8-17)7-13(15)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole?
1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole has a molecular weight of 349.66 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 107085713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).