2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol

C35H39N5O — CID 91591732

IUPAC2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(NCCO)nc1
InChIInChI=1S/C35H39N5O/c1-2-3-22-40-32(34(30-15-9-5-10-16-30)38-35(40)31-17-11-6-12-18-31)27-39(25-28-13-7-4-8-14-28)26-29-19-20-33(37-24-29)36-21-23-41/h4-20,24,41H,2-3,21-23,25-27H2,1H3,(H,36,37)
InChIKeyOAMGTGCYJKLUJC-UHFFFAOYSA-N
MW545.73 g/mol
LogP7.02
Rot. Bonds14

About 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol

2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol (PubChem CID 91591732) has the molecular formula C35H39N5O and a molecular weight of 545.73 g/mol. Its IUPAC name is 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol
PubChem CID91591732
Molecular FormulaC35H39N5O
Molecular Weight545.73 g/mol
Exact Mass545.32
IUPAC Name2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(NCCO)nc1
InChIInChI=1S/C35H39N5O/c1-2-3-22-40-32(34(30-15-9-5-10-16-30)38-35(40)31-17-11-6-12-18-31)27-39(25-28-13-7-4-8-14-28)26-29-19-20-33(37-24-29)36-21-23-41/h4-20,24,41H,2-3,21-23,25-27H2,1H3,(H,36,37)
InChIKeyOAMGTGCYJKLUJC-UHFFFAOYSA-N
XLogP7.02
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.73
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
CID 18438536
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-[(4-methoxyphenyl)methyl]ethanamine
CID 69326108
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]-1-phenylmethanamine
CID 69325586
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenol
CID 67210047
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(methylsulfanylmethoxy)phenyl]methyl]butan-1-amine
CID 69325515
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69330877
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 69325492
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 18438337
1-[4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 69326461
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 22493826

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol (CID 91591732) is 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(NCCO)nc1.
What is the InChIKey of 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol?
The InChIKey is OAMGTGCYJKLUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O/c1-2-3-22-40-32(34(30-15-9-5-10-16-30)38-35(40)31-17-11-6-12-18-31)27-39(25-28-13-7-4-8-14-28)26-29-19-20-33(37-24-29)36-21-23-41/h4-20,24,41H,2-3,21-23,25-27H2,1H3,(H,36,37).
What are the key properties of 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol?
2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol has a molecular weight of 545.73 g/mol, XLogP of 7.02, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[benzyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 91591732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).