N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine

C30H35N3 — CID 69325628

IUPACN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
SMILESCCCCn1c(CN(CCc2ccccc2)Cc2ccc(C)cc2)cnc1-c1ccccc1
InChIInChI=1S/C30H35N3/c1-3-4-20-33-29(22-31-30(33)28-13-9-6-10-14-28)24-32(21-19-26-11-7-5-8-12-26)23-27-17-15-25(2)16-18-27/h5-18,22H,3-4,19-21,23-24H2,1-2H3
InChIKeyKTWWUJUETJJBRT-UHFFFAOYSA-N
MW437.63 g/mol
LogP6.90
Rot. Bonds11

About N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine

N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine (PubChem CID 69325628) has the molecular formula C30H35N3 and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
PubChem CID69325628
Molecular FormulaC30H35N3
Molecular Weight437.63 g/mol
Exact Mass437.28
IUPAC NameN-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
SMILESCCCCn1c(CN(CCc2ccccc2)Cc2ccc(C)cc2)cnc1-c1ccccc1
InChIInChI=1S/C30H35N3/c1-3-4-20-33-29(22-31-30(33)28-13-9-6-10-14-28)24-32(21-19-26-11-7-5-8-12-26)23-27-17-15-25(2)16-18-27/h5-18,22H,3-4,19-21,23-24H2,1-2H3
InChIKeyKTWWUJUETJJBRT-UHFFFAOYSA-N
XLogP6.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine (CID 69325628) is N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine is CCCCn1c(CN(CCc2ccccc2)Cc2ccc(C)cc2)cnc1-c1ccccc1.
What is the InChIKey of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine?
The InChIKey is KTWWUJUETJJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3/c1-3-4-20-33-29(22-31-30(33)28-13-9-6-10-14-28)24-32(21-19-26-11-7-5-8-12-26)23-27-17-15-25(2)16-18-27/h5-18,22H,3-4,19-21,23-24H2,1-2H3.
What are the key properties of N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine?
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine has a molecular weight of 437.63 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 69325628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).