N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine

C38H43N3O — CID 58818085

IUPACN-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccc(C)cc2)c1CN(Cc1cccc(C)c1)Cc1cccc(OCC)c1
InChIInChI=1S/C38H43N3O/c1-5-7-23-41-36(37(33-21-19-29(3)20-22-33)39-38(41)34-16-9-8-10-17-34)28-40(26-31-14-11-13-30(4)24-31)27-32-15-12-18-35(25-32)42-6-2/h8-22,24-25H,5-7,23,26-28H2,1-4H3
InChIKeyDHKTWHCWJFPBAN-UHFFFAOYSA-N
MW557.78 g/mol
LogP9.24
Rot. Bonds13

About N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine

N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 58818085) has the molecular formula C38H43N3O and a molecular weight of 557.78 g/mol. Its IUPAC name is N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
PubChem CID58818085
Molecular FormulaC38H43N3O
Molecular Weight557.78 g/mol
Exact Mass557.34
IUPAC NameN-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccc(C)cc2)c1CN(Cc1cccc(C)c1)Cc1cccc(OCC)c1
InChIInChI=1S/C38H43N3O/c1-5-7-23-41-36(37(33-21-19-29(3)20-22-33)39-38(41)34-16-9-8-10-17-34)28-40(26-31-14-11-13-30(4)24-31)27-32-15-12-18-35(25-32)42-6-2/h8-22,24-25H,5-7,23,26-28H2,1-4H3
InChIKeyDHKTWHCWJFPBAN-UHFFFAOYSA-N
XLogP9.24
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.78
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-butyl-5-(3-fluorophenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 58818086
N-(1,3-benzodioxol-5-ylmethyl)-N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)methanamine
CID 10175277
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-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3-methylphenyl)methanamine
CID 58818035
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 69325927
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 69325850
(1Z)-3-[5-[[bis[(3-ethoxyphenyl)methyl]amino]methyl]-1-butyl-2-phenylimidazol-4-yl]buta-1,3-diene-1-thiol
CID 142815362
[3-[5-[[1,3-benzodioxol-5-ylmethyl-[(3-ethoxyphenyl)methyl]amino]methyl]-1-butyl-2-phenylimidazol-4-yl]phenyl]methanamine
CID 174481369
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,4-dimethylphenyl)methyl]-1-phenylmethanamine
CID 69325586
N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-ethyl-5-phenylimidazol-4-yl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 58786325
N-[(3-butyl-5-chloro-2-phenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18438430
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
CID 18438536

Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine (CID 58818085) is N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine is CCCCn1c(-c2ccccc2)nc(-c2ccc(C)cc2)c1CN(Cc1cccc(C)c1)Cc1cccc(OCC)c1.
What is the InChIKey of N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is DHKTWHCWJFPBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N3O/c1-5-7-23-41-36(37(33-21-19-29(3)20-22-33)39-38(41)34-16-9-8-10-17-34)28-40(26-31-14-11-13-30(4)24-31)27-32-15-12-18-35(25-32)42-6-2/h8-22,24-25H,5-7,23,26-28H2,1-4H3.
What are the key properties of N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine?
N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 557.78 g/mol, XLogP of 9.24, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-5-(4-methylphenyl)-2-phenylimidazol-4-yl]methyl]-1-(3-ethoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 58818085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).