1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole

C28H32N4 — CID 155622082

IUPAC1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole
SMILESCC1=C(C)N(c2ccccc2)CN1CCCCN1CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H32N4/c1-23-24(2)31(25-13-5-3-6-14-25)21-29(23)19-11-12-20-30-22-32(26-15-7-4-8-16-26)28-18-10-9-17-27(28)30/h3-10,13-18H,11-12,19-22H2,1-2H3
InChIKeyNHZKKPGNQWLYMM-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.41
Rot. Bonds7

About 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole

1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole (PubChem CID 155622082) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole
PubChem CID155622082
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Name1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole
SMILESCC1=C(C)N(c2ccccc2)CN1CCCCN1CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H32N4/c1-23-24(2)31(25-13-5-3-6-14-25)21-29(23)19-11-12-20-30-22-32(26-15-7-4-8-16-26)28-18-10-9-17-27(28)30/h3-10,13-18H,11-12,19-22H2,1-2H3
InChIKeyNHZKKPGNQWLYMM-UHFFFAOYSA-N
XLogP6.41
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
CID 71350000
1-methyl-3-nonyl-2H-benzimidazole
CID 138678028
1-(4-chlorobutyl)-3-ethyl-2H-benzimidazole
CID 174253153
1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
CID 58281398
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)
CID 159936724
1-butyl-3-methyl-2H-benzimidazole;hydrofluoride
CID 173351817
3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one
CID 19706968
CID 174524249
CID 174524249
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate
CID 21322159
1-[5-(5-methyl-1H-pyrazol-3-yl)pentyl]-3,6-diphenyl-2H-imidazo[4,5-b]pyridine
CID 170690844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole?
The IUPAC name of 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole (CID 155622082) is 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole.
What is the SMILES notation for 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole?
The canonical SMILES for 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole is CC1=C(C)N(c2ccccc2)CN1CCCCN1CN(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole?
The InChIKey is NHZKKPGNQWLYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4/c1-23-24(2)31(25-13-5-3-6-14-25)21-29(23)19-11-12-20-30-22-32(26-15-7-4-8-16-26)28-18-10-9-17-27(28)30/h3-10,13-18H,11-12,19-22H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole?
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole has a molecular weight of 424.59 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole is sourced from PubChem (CID 155622082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).