3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline

C18H19N3 — CID 43737809

IUPAC3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cccc(Cn3ccnc3)c2)c1
InChIInChI=1S/C18H19N3/c1-15-4-2-5-16(10-15)12-20-18-7-3-6-17(11-18)13-21-9-8-19-14-21/h2-11,14,20H,12-13H2,1H3
InChIKeyVXJVKQNZORVXBU-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.85
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline

3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline (PubChem CID 43737809) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
PubChem CID43737809
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cccc(Cn3ccnc3)c2)c1
InChIInChI=1S/C18H19N3/c1-15-4-2-5-16(10-15)12-20-18-7-3-6-17(11-18)13-21-9-8-19-14-21/h2-11,14,20H,12-13H2,1H3
InChIKeyVXJVKQNZORVXBU-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(imidazol-1-ylmethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62742474
3-(imidazol-1-ylmethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743654
N-[(4,5-dibromofuran-2-yl)methyl]-3-(imidazol-1-ylmethyl)aniline
CID 62083428
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 46913521
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 139004553
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 133409051
2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-methylphenyl)guanidine
CID 111064053

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline (CID 43737809) is 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CNc2cccc(Cn3ccnc3)c2)c1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is VXJVKQNZORVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-15-4-2-5-16(10-15)12-20-18-7-3-6-17(11-18)13-21-9-8-19-14-21/h2-11,14,20H,12-13H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline?
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 43737809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).