1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine

C16H14BrN3 — CID 589540

IUPAC1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine
SMILESCc1nc2cc(/N=C/c3ccc(Br)cc3)ccc2n1C
InChIInChI=1S/C16H14BrN3/c1-11-19-15-9-14(7-8-16(15)20(11)2)18-10-12-3-5-13(17)6-4-12/h3-10H,1-2H3/b18-10+
InChIKeyQKNCZCOVFGWMCT-VCHYOVAHSA-N
MW328.21 g/mol
LogP4.39
Rot. Bonds2

About 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine

1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine (PubChem CID 589540) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine
PubChem CID589540
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine
SMILESCc1nc2cc(/N=C/c3ccc(Br)cc3)ccc2n1C
InChIInChI=1S/C16H14BrN3/c1-11-19-15-9-14(7-8-16(15)20(11)2)18-10-12-3-5-13(17)6-4-12/h3-10H,1-2H3/b18-10+
InChIKeyQKNCZCOVFGWMCT-VCHYOVAHSA-N
XLogP4.39
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine (CID 589540) is 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine is Cc1nc2cc(/N=C/c3ccc(Br)cc3)ccc2n1C.
What is the InChIKey of 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine?
The InChIKey is QKNCZCOVFGWMCT-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-19-15-9-14(7-8-16(15)20(11)2)18-10-12-3-5-13(17)6-4-12/h3-10H,1-2H3/b18-10+.
What are the key properties of 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine?
1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine has a molecular weight of 328.21 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)methanimine is sourced from PubChem (CID 589540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).