[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

C19H21N3O — CID 82557940

IUPAC[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESCOc1ccc(Cc2nccn2Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H21N3O/c1-23-18-8-6-15(7-9-18)12-19-21-10-11-22(19)14-17-4-2-16(13-20)3-5-17/h2-11H,12-14,20H2,1H3
InChIKeyKLGDVULPHHECKE-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.99
Rot. Bonds6

About [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82557940) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82557940
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESCOc1ccc(Cc2nccn2Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H21N3O/c1-23-18-8-6-15(7-9-18)12-19-21-10-11-22(19)14-17-4-2-16(13-20)3-5-17/h2-11H,12-14,20H2,1H3
InChIKeyKLGDVULPHHECKE-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
CID 42819635
2-ethyl-1-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]butan-1-amine
CID 68594273
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (CID 82557940) is [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is COc1ccc(Cc2nccn2Cc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is KLGDVULPHHECKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-18-8-6-15(7-9-18)12-19-21-10-11-22(19)14-17-4-2-16(13-20)3-5-17/h2-11H,12-14,20H2,1H3.
What are the key properties of [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82557940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).