N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine

C34H40BrN3 — CID 69327050

IUPACN-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1Br)CC1CCCCC1
InChIInChI=1S/C34H40BrN3/c1-2-3-23-38-32(33(28-17-9-5-10-18-28)36-34(38)29-19-11-6-12-20-29)26-37(24-27-15-7-4-8-16-27)25-30-21-13-14-22-31(30)35/h5-6,9-14,17-22,27H,2-4,7-8,15-16,23-26H2,1H3
InChIKeyBLUYLTHJKDHBHI-UHFFFAOYSA-N
MW570.62 g/mol
LogP9.36
Rot. Bonds11

About N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine

N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine (PubChem CID 69327050) has the molecular formula C34H40BrN3 and a molecular weight of 570.62 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
PubChem CID69327050
Molecular FormulaC34H40BrN3
Molecular Weight570.62 g/mol
Exact Mass569.24
IUPAC NameN-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine
SMILESCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1Br)CC1CCCCC1
InChIInChI=1S/C34H40BrN3/c1-2-3-23-38-32(33(28-17-9-5-10-18-28)36-34(38)29-19-11-6-12-20-29)26-37(24-27-15-7-4-8-16-27)25-30-21-13-14-22-31(30)35/h5-6,9-14,17-22,27H,2-4,7-8,15-16,23-26H2,1H3
InChIKeyBLUYLTHJKDHBHI-UHFFFAOYSA-N
XLogP9.36
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine (CID 69327050) is N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine is CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1Br)CC1CCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
The InChIKey is BLUYLTHJKDHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40BrN3/c1-2-3-23-38-32(33(28-17-9-5-10-18-28)36-34(38)29-19-11-6-12-20-29)26-37(24-27-15-7-4-8-16-27)25-30-21-13-14-22-31(30)35/h5-6,9-14,17-22,27H,2-4,7-8,15-16,23-26H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine?
N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine has a molecular weight of 570.62 g/mol, XLogP of 9.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 69327050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).