1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole

C16H13BrCl2N2 — CID 63545046

IUPAC1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1Cc1ccccc1Br
InChIInChI=1S/C16H13BrCl2N2/c17-12-5-2-1-4-11(12)10-21-15(8-9-18)20-14-7-3-6-13(19)16(14)21/h1-7H,8-10H2
InChIKeySKZOAKCJXHRLMD-UHFFFAOYSA-N
MW384.10 g/mol
LogP5.28
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole

1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole (PubChem CID 63545046) has the molecular formula C16H13BrCl2N2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
PubChem CID63545046
Molecular FormulaC16H13BrCl2N2
Molecular Weight384.10 g/mol
Exact Mass381.96
IUPAC Name1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1Cc1ccccc1Br
InChIInChI=1S/C16H13BrCl2N2/c17-12-5-2-1-4-11(12)10-21-15(8-9-18)20-14-7-3-6-13(19)16(14)21/h1-7H,8-10H2
InChIKeySKZOAKCJXHRLMD-UHFFFAOYSA-N
XLogP5.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 55.28
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-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
7-chloro-2-(2-chloroethyl)-1-[2-(furan-2-yl)ethyl]benzimidazole
CID 61472841
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
7-chloro-2-(2-chloroethyl)-1-(5,5,5-trifluoropentyl)benzimidazole
CID 115521089
7-chloro-2-(2-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 61460982
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681
7-chloro-2-(2-chloroethyl)-1-(2-pyridin-3-ylethyl)benzimidazole
CID 60914985
7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564
2-(2-chloroethyl)-1-(2,6-dibromophenyl)-7-methylbenzimidazole
CID 107601522
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-7-methylbenzimidazole
CID 115553408
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole (CID 63545046) is 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole is ClCCc1nc2cccc(Cl)c2n1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole?
The InChIKey is SKZOAKCJXHRLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2/c17-12-5-2-1-4-11(12)10-21-15(8-9-18)20-14-7-3-6-13(19)16(14)21/h1-7H,8-10H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole?
1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole has a molecular weight of 384.10 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 63545046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).