N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine

C21H26BrN3 — CID 170636625

IUPACN-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine
SMILESCc1cc(Br)cc(C)c1N=c1n(C(C)C)c2ccccc2n1C(C)C
InChIInChI=1S/C21H26BrN3/c1-13(2)24-18-9-7-8-10-19(18)25(14(3)4)21(24)23-20-15(5)11-17(22)12-16(20)6/h7-14H,1-6H3
InChIKeyUEXXCMBYSSCIGA-UHFFFAOYSA-N
MW400.36 g/mol
LogP6.22
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine

N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine (PubChem CID 170636625) has the molecular formula C21H26BrN3 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine
PubChem CID170636625
Molecular FormulaC21H26BrN3
Molecular Weight400.36 g/mol
Exact Mass399.13
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine
SMILESCc1cc(Br)cc(C)c1N=c1n(C(C)C)c2ccccc2n1C(C)C
InChIInChI=1S/C21H26BrN3/c1-13(2)24-18-9-7-8-10-19(18)25(14(3)4)21(24)23-20-15(5)11-17(22)12-16(20)6/h7-14H,1-6H3
InChIKeyUEXXCMBYSSCIGA-UHFFFAOYSA-N
XLogP6.22
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-di(propan-2-yl)-N-(trimethyl-λ4-sulfanyl)benzimidazol-2-imine
CID 167077140
N-diphenylphosphanyl-1,3-di(propan-2-yl)benzimidazol-2-imine
CID 122386375
1-(2,7-dibromo-4,9-dimethylfluoren-9-yl)ethanol
CID 121446940
1,3-di(propan-2-yl)benzimidazol-2-imine
CID 139205352
2,4-dimethyl-9-propan-2-ylcarbazol-3-amine
CID 11779995
1-(2-methyl-1-propan-2-ylindol-4-yl)propan-2-ol
CID 117204226
N-[butyl(tert-butyl)phosphanyl]-1,3-di(propan-2-yl)benzimidazol-2-imine
CID 155201396
2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
CID 46310533
2-(5-tert-butyl-2-methylphenyl)-1-methyl-3-propan-2-ylbenzimidazol-1-ium
CID 157063859
N-[[[1,3-di(propan-2-yl)benzimidazol-2-ylidene]amino]-propan-2-ylphosphanyl]-1,3-di(propan-2-yl)benzimidazol-3-ium-2-amine
CID 132500443
2-bromo-3,7-dimethyl-1-propan-2-ylindole
CID 117127858
5-bromo-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117177401

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine (CID 170636625) is N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine is Cc1cc(Br)cc(C)c1N=c1n(C(C)C)c2ccccc2n1C(C)C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?
The InChIKey is UEXXCMBYSSCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3/c1-13(2)24-18-9-7-8-10-19(18)25(14(3)4)21(24)23-20-15(5)11-17(22)12-16(20)6/h7-14H,1-6H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine?
N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine has a molecular weight of 400.36 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-1,3-di(propan-2-yl)benzimidazol-2-imine is sourced from PubChem (CID 170636625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).