[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine

C17H17N3 — CID 61069749

IUPAC[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C17H17N3/c18-12-14-5-4-6-15(11-14)13-20-10-9-19-17(20)16-7-2-1-3-8-16/h1-11H,12-13,18H2
InChIKeyMENQKCUJYDMSJE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.06
Rot. Bonds4

About [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine

[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 61069749) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID61069749
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
SMILESNCc1cccc(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C17H17N3/c18-12-14-5-4-6-15(11-14)13-20-10-9-19-17(20)16-7-2-1-3-8-16/h1-11H,12-13,18H2
InChIKeyMENQKCUJYDMSJE-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558960
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559570
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
[3-[[2-(2,6-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559535
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
2,4,6-tris(1-benzylimidazol-2-yl)phenol
CID 136721299

Frequently Asked Questions

What is the IUPAC name of [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine (CID 61069749) is [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine is NCc1cccc(Cn2ccnc2-c2ccccc2)c1.
What is the InChIKey of [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is MENQKCUJYDMSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-12-14-5-4-6-15(11-14)13-20-10-9-19-17(20)16-7-2-1-3-8-16/h1-11H,12-13,18H2.
What are the key properties of [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine?
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 61069749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).