N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline

C29H32N4O2 — CID 167465773

IUPACN-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
SMILESCOc1cccc(CN(Cc2cccc(-n3ccnc3)c2)c2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C29H32N4O2/c1-34-29-10-4-7-26(19-29)22-33(21-25-6-3-8-27(18-25)32-12-11-30-23-32)28-9-2-5-24(17-28)20-31-13-15-35-16-14-31/h2-12,17-19,23H,13-16,20-22H2,1H3
InChIKeyQATDIYCDDADJDC-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.92
Rot. Bonds9

About N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline

N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline (PubChem CID 167465773) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
PubChem CID167465773
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
SMILESCOc1cccc(CN(Cc2cccc(-n3ccnc3)c2)c2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C29H32N4O2/c1-34-29-10-4-7-26(19-29)22-33(21-25-6-3-8-27(18-25)32-12-11-30-23-32)28-9-2-5-24(17-28)20-31-13-15-35-16-14-31/h2-12,17-19,23H,13-16,20-22H2,1H3
InChIKeyQATDIYCDDADJDC-UHFFFAOYSA-N
XLogP4.92
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(4-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167466139
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553
N-[(3-methoxyphenyl)methyl]-3-(piperidin-1-ylmethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465874
N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]aniline
CID 167466026
4-[(dimethylamino)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 167465619
N-[(3-imidazol-1-ylphenyl)methyl]-2-[2-[(3-methoxyphenyl)methoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466401
5-[2-[3-(dimethylamino)phenoxy]ethoxy]-N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 167466322
3-[2-[[4-[(3-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methoxy]ethoxy]-N,N-dimethylaniline
CID 167465647
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
1-[(3-imidazol-1-ylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]thiourea
CID 167465585
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359

Frequently Asked Questions

What is the IUPAC name of N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline?
The IUPAC name of N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline (CID 167465773) is N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline is COc1cccc(CN(Cc2cccc(-n3ccnc3)c2)c2cccc(CN3CCOCC3)c2)c1.
What is the InChIKey of N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline?
The InChIKey is QATDIYCDDADJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-34-29-10-4-7-26(19-29)22-33(21-25-6-3-8-27(18-25)32-12-11-30-23-32)28-9-2-5-24(17-28)20-31-13-15-35-16-14-31/h2-12,17-19,23H,13-16,20-22H2,1H3.
What are the key properties of N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline?
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline has a molecular weight of 468.60 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 167465773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).