2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile

C13H13N3O — CID 96602601

IUPAC2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
SMILESCOc1ccccc1Cc1ncc(CC#N)[nH]1
InChIInChI=1S/C13H13N3O/c1-17-12-5-3-2-4-10(12)8-13-15-9-11(16-13)6-7-14/h2-5,9H,6,8H2,1H3,(H,15,16)
InChIKeyDHVGUBMCKNRMBT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.08
Rot. Bonds4

About 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile

2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile (PubChem CID 96602601) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
PubChem CID96602601
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
SMILESCOc1ccccc1Cc1ncc(CC#N)[nH]1
InChIInChI=1S/C13H13N3O/c1-17-12-5-3-2-4-10(12)8-13-15-9-11(16-13)6-7-14/h2-5,9H,6,8H2,1H3,(H,15,16)
InChIKeyDHVGUBMCKNRMBT-UHFFFAOYSA-N
XLogP2.08
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile 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

2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-[(2-methoxyphenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475189
2-(2-methyl-1H-imidazol-5-yl)acetonitrile
CID 22359359
[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 95458015
2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile
CID 86155680
2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001949
2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 82301547
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135994997

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile (CID 96602601) is 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile is COc1ccccc1Cc1ncc(CC#N)[nH]1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile?
The InChIKey is DHVGUBMCKNRMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-17-12-5-3-2-4-10(12)8-13-15-9-11(16-13)6-7-14/h2-5,9H,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile?
2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile is sourced from PubChem (CID 96602601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).