N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine

C20H14BrN3 — CID 95911019

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C20H14BrN3/c21-16-9-5-14(6-10-16)13-22-17-11-7-15(8-12-17)20-23-18-3-1-2-4-19(18)24-20/h1-13H,(H,23,24)/b22-13+
InChIKeyVEFLEMKMSAUXCF-LPYMAVHISA-N
MW376.26 g/mol
LogP5.74
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine (PubChem CID 95911019) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine
PubChem CID95911019
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine
SMILESBrc1ccc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C20H14BrN3/c21-16-9-5-14(6-10-16)13-22-17-11-7-15(8-12-17)20-23-18-3-1-2-4-19(18)24-20/h1-13H,(H,23,24)/b22-13+
InChIKeyVEFLEMKMSAUXCF-LPYMAVHISA-N
XLogP5.74
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-bromophenyl)-N-[5-(4-bromophenyl)-2-phenyl-1H-imidazol-4-yl]methanimine
CID 177468100
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-phenylmethanimine
CID 110170715
1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 15999560
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine
CID 23966713
2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol
CID 135470120
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine
CID 136534856

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine (CID 95911019) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine is Brc1ccc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine?
The InChIKey is VEFLEMKMSAUXCF-LPYMAVHISA-N. The full InChI is InChI=1S/C20H14BrN3/c21-16-9-5-14(6-10-16)13-22-17-11-7-15(8-12-17)20-23-18-3-1-2-4-19(18)24-20/h1-13H,(H,23,24)/b22-13+.
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine has a molecular weight of 376.26 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine is sourced from PubChem (CID 95911019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).