N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine

C33H39N3O — CID 69325436

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccc2c(c1)CCO2)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C33H39N3O/c1-3-5-20-35(24-26-17-18-31-29(23-26)19-22-37-31)25-30-32(27-13-9-7-10-14-27)34-33(36(30)21-6-4-2)28-15-11-8-12-16-28/h7-18,23H,3-6,19-22,24-25H2,1-2H3
InChIKeyRTGMOIZUYFNEHX-UHFFFAOYSA-N
MW493.70 g/mol
LogP7.75
Rot. Bonds12

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine (PubChem CID 69325436) has the molecular formula C33H39N3O and a molecular weight of 493.70 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine
PubChem CID69325436
Molecular FormulaC33H39N3O
Molecular Weight493.70 g/mol
Exact Mass493.31
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccc2c(c1)CCO2)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C33H39N3O/c1-3-5-20-35(24-26-17-18-31-29(23-26)19-22-37-31)25-30-32(27-13-9-7-10-14-27)34-33(36(30)21-6-4-2)28-15-11-8-12-16-28/h7-18,23H,3-6,19-22,24-25H2,1-2H3
InChIKeyRTGMOIZUYFNEHX-UHFFFAOYSA-N
XLogP7.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
CID 69327348
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-2-(3-methoxyphenyl)-5-phenylimidazol-4-yl]methyl]butan-1-amine
CID 69326652
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-chlorophenyl)methyl]butan-1-amine
CID 69325801
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
CID 18438342
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(methylsulfanylmethoxy)phenyl]methyl]butan-1-amine
CID 69325515
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437613
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,5-dichloro-4-methoxyphenyl)methyl]butan-1-amine
CID 18438310
N-[[5-(2H-azirin-3-yl)-3-butyl-2-phenylimidazol-4-yl]methyl]-1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)methanamine
CID 142815173
(3E,5Z)-N-[[3-butyl-5-(3,5-dimethylphenyl)-2-phenylimidazol-4-yl]methyl]-N-(2,3-dihydro-1-benzofuran-6-ylmethyl)-4-ethoxyhepta-3,5-dien-1-amine
CID 142815170
5-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-nitrophenol
CID 69302769
4-[5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-1-butyl-2-phenylimidazol-4-yl]benzonitrile
CID 18438010

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine (CID 69325436) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine is CCCCN(Cc1ccc2c(c1)CCO2)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine?
The InChIKey is RTGMOIZUYFNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O/c1-3-5-20-35(24-26-17-18-31-29(23-26)19-22-37-31)25-30-32(27-13-9-7-10-14-27)34-33(36(30)21-6-4-2)28-15-11-8-12-16-28/h7-18,23H,3-6,19-22,24-25H2,1-2H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine has a molecular weight of 493.70 g/mol, XLogP of 7.75, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 69325436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).