2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline

C18H19N3 — CID 79179309

IUPAC2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
SMILESCc1ccccc1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-14-8-6-7-11-18(14)20-13-17-12-19-15(2)21(17)16-9-4-3-5-10-16/h3-12,20H,13H2,1-2H3
InChIKeyPOBRCQAJNSSPQS-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.10
Rot. Bonds4

About 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline

2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline (PubChem CID 79179309) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
PubChem CID79179309
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
SMILESCc1ccccc1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-14-8-6-7-11-18(14)20-13-17-12-19-15(2)21(17)16-9-4-3-5-10-16/h3-12,20H,13H2,1-2H3
InChIKeyPOBRCQAJNSSPQS-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline (CID 79179309) is 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline is Cc1ccccc1NCc1cnc(C)n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
The InChIKey is POBRCQAJNSSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-8-6-7-11-18(14)20-13-17-12-19-15(2)21(17)16-9-4-3-5-10-16/h3-12,20H,13H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 79179309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).