N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine

C30H35N3O2 — CID 69301404

IUPACN-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCc1nc(-c2ccccc2)[nH]c1CN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C30H35N3O2/c1-4-5-16-26-27(32-30(31-26)25-14-10-7-11-15-25)22-33(20-23-12-8-6-9-13-23)21-24-17-18-28(34-2)29(19-24)35-3/h6-15,17-19H,4-5,16,20-22H2,1-3H3,(H,31,32)
InChIKeyAIKOWGNLSDBVPL-UHFFFAOYSA-N
MW469.63 g/mol
LogP6.64
Rot. Bonds12

About N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine

N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 69301404) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID69301404
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCCc1nc(-c2ccccc2)[nH]c1CN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C30H35N3O2/c1-4-5-16-26-27(32-30(31-26)25-14-10-7-11-15-25)22-33(20-23-12-8-6-9-13-23)21-24-17-18-28(34-2)29(19-24)35-3/h6-15,17-19H,4-5,16,20-22H2,1-3H3,(H,31,32)
InChIKeyAIKOWGNLSDBVPL-UHFFFAOYSA-N
XLogP6.64
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine (CID 69301404) is N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine is CCCCc1nc(-c2ccccc2)[nH]c1CN(Cc1ccccc1)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is AIKOWGNLSDBVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-4-5-16-26-27(32-30(31-26)25-14-10-7-11-15-25)22-33(20-23-12-8-6-9-13-23)21-24-17-18-28(34-2)29(19-24)35-3/h6-15,17-19H,4-5,16,20-22H2,1-3H3,(H,31,32).
What are the key properties of N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine?
N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 469.63 g/mol, XLogP of 6.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butyl-2-phenyl-1H-imidazol-5-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 69301404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).