N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline

C17H17N3 — CID 60862791

IUPACN-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1ccccc1-c1cnc(CNc2ccccc2)[nH]1
InChIInChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)16-11-19-17(20-16)12-18-14-8-3-2-4-9-14/h2-11,18H,12H2,1H3,(H,19,20)
InChIKeyTVAPLVOJXNWWBI-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.00
Rot. Bonds4

About N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline

N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline (PubChem CID 60862791) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
PubChem CID60862791
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
SMILESCc1ccccc1-c1cnc(CNc2ccccc2)[nH]1
InChIInChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)16-11-19-17(20-16)12-18-14-8-3-2-4-9-14/h2-11,18H,12H2,1H3,(H,19,20)
InChIKeyTVAPLVOJXNWWBI-UHFFFAOYSA-N
XLogP4.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline (CID 60862791) is N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline is Cc1ccccc1-c1cnc(CNc2ccccc2)[nH]1.
What is the InChIKey of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is TVAPLVOJXNWWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)16-11-19-17(20-16)12-18-14-8-3-2-4-9-14/h2-11,18H,12H2,1H3,(H,19,20).
What are the key properties of N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline?
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 60862791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).