3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C16H17N3 — CID 781034

IUPAC3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1cccc(NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C16H17N3/c1-12-6-5-7-13(10-12)17-11-16-18-14-8-3-4-9-15(14)19(16)2/h3-10,17H,11H2,1-2H3
InChIKeyYBRFBWIXMFNIFY-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 781034) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID781034
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1cccc(NCc2nc3ccccc3n2C)c1
InChIInChI=1S/C16H17N3/c1-12-6-5-7-13(10-12)17-11-16-18-14-8-3-4-9-15(14)19(16)2/h3-10,17H,11H2,1-2H3
InChIKeyYBRFBWIXMFNIFY-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 781034) is 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cc1cccc(NCc2nc3ccccc3n2C)c1.
What is the InChIKey of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is YBRFBWIXMFNIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-6-5-7-13(10-12)17-11-16-18-14-8-3-4-9-15(14)19(16)2/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 781034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).