N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine

C34H33ClFN3 — CID 18438536

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C34H33ClFN3/c1-2-3-21-39-32(33(28-15-9-5-10-16-28)37-34(39)29-17-11-6-12-18-29)25-38(23-26-13-7-4-8-14-26)24-27-19-20-30(35)31(36)22-27/h4-20,22H,2-3,21,23-25H2,1H3
InChIKeyLJZOMDHCKHOUOS-UHFFFAOYSA-N
MW538.11 g/mol
LogP9.01
Rot. Bonds11

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine (PubChem CID 18438536) has the molecular formula C34H33ClFN3 and a molecular weight of 538.11 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
PubChem CID18438536
Molecular FormulaC34H33ClFN3
Molecular Weight538.11 g/mol
Exact Mass537.23
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C34H33ClFN3/c1-2-3-21-39-32(33(28-15-9-5-10-16-28)37-34(39)29-17-11-6-12-18-29)25-38(23-26-13-7-4-8-14-26)24-27-19-20-30(35)31(36)22-27/h4-20,22H,2-3,21,23-25H2,1H3
InChIKeyLJZOMDHCKHOUOS-UHFFFAOYSA-N
XLogP9.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.11
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine (CID 18438536) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine?
The InChIKey is LJZOMDHCKHOUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClFN3/c1-2-3-21-39-32(33(28-15-9-5-10-16-28)37-34(39)29-17-11-6-12-18-29)25-38(23-26-13-7-4-8-14-26)24-27-19-20-30(35)31(36)22-27/h4-20,22H,2-3,21,23-25H2,1H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine has a molecular weight of 538.11 g/mol, XLogP of 9.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 18438536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).