N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine

C38H41F2N3O2 — CID 18437659

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C38H41F2N3O2/c1-5-6-21-43-34(35(31-13-9-7-10-14-31)41-37(43)32-15-11-8-12-16-32)26-42(24-29-17-19-33(20-18-29)45-38(39)40)25-30-22-27(2)36(44-4)28(3)23-30/h7-20,22-23,38H,5-6,21,24-26H2,1-4H3
InChIKeyOEDLEGUFNGKJEL-UHFFFAOYSA-N
MW609.76 g/mol
LogP9.45
Rot. Bonds14

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine (PubChem CID 18437659) has the molecular formula C38H41F2N3O2 and a molecular weight of 609.76 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine
PubChem CID18437659
Molecular FormulaC38H41F2N3O2
Molecular Weight609.76 g/mol
Exact Mass609.32
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C38H41F2N3O2/c1-5-6-21-43-34(35(31-13-9-7-10-14-31)41-37(43)32-15-11-8-12-16-32)26-42(24-29-17-19-33(20-18-29)45-38(39)40)25-30-22-27(2)36(44-4)28(3)23-30/h7-20,22-23,38H,5-6,21,24-26H2,1-4H3
InChIKeyOEDLEGUFNGKJEL-UHFFFAOYSA-N
XLogP9.45
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.76
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine (CID 18437659) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cc(C)c(OC)c(C)c1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine?
The InChIKey is OEDLEGUFNGKJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41F2N3O2/c1-5-6-21-43-34(35(31-13-9-7-10-14-31)41-37(43)32-15-11-8-12-16-32)26-42(24-29-17-19-33(20-18-29)45-38(39)40)25-30-22-27(2)36(44-4)28(3)23-30/h7-20,22-23,38H,5-6,21,24-26H2,1-4H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine has a molecular weight of 609.76 g/mol, XLogP of 9.45, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 18437659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).