N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine

C23H29N3 — CID 3709374

IUPACN,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine
SMILESCCCCN(CCCC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H29N3/c1-3-5-17-26(18-6-4-2)23-24-21(19-13-9-7-10-14-19)22(25-23)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H,24,25)
InChIKeyCAAOAVSUOXGGOE-UHFFFAOYSA-N
MW347.51 g/mol
LogP6.15
Rot. Bonds9

About N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine

N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine (PubChem CID 3709374) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine
PubChem CID3709374
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC NameN,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine
SMILESCCCCN(CCCC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H29N3/c1-3-5-17-26(18-6-4-2)23-24-21(19-13-9-7-10-14-19)22(25-23)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H,24,25)
InChIKeyCAAOAVSUOXGGOE-UHFFFAOYSA-N
XLogP6.15
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025
N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
CID 141036580
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
CID 70689163
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
CID 70689162
(4,5-diphenyl-1H-imidazol-2-yl)methanol
CID 63926988
5-bromo-2-(diethylamino)-6-phenyl-1H-pyrimidine-4-thione
CID 106478924
N-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]heptan-1-amine
CID 10408288
octyl 2-(4,5-diphenyl-1H-imidazol-2-yl)acetate
CID 54186770
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine?
The IUPAC name of N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine (CID 3709374) is N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine.
What is the SMILES notation for N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine?
The canonical SMILES for N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine is CCCCN(CCCC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine?
The InChIKey is CAAOAVSUOXGGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-3-5-17-26(18-6-4-2)23-24-21(19-13-9-7-10-14-19)22(25-23)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3,(H,24,25).
What are the key properties of N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine?
N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine has a molecular weight of 347.51 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4,5-diphenyl-1H-imidazol-2-amine is sourced from PubChem (CID 3709374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).