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

C16H17N3 — CID 974484

IUPAC2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1ccccc1NCc1nc2ccccc2n1C
InChIInChI=1S/C16H17N3/c1-12-7-3-4-8-13(12)17-11-16-18-14-9-5-6-10-15(14)19(16)2/h3-10,17H,11H2,1-2H3
InChIKeyRDYNZGXJQGAHHV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

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

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 974484) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID974484
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCc1ccccc1NCc1nc2ccccc2n1C
InChIInChI=1S/C16H17N3/c1-12-7-3-4-8-13(12)17-11-16-18-14-9-5-6-10-15(14)19(16)2/h3-10,17H,11H2,1-2H3
InChIKeyRDYNZGXJQGAHHV-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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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 104722911
N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
CID 177372418
2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107633206
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
4-chloro-2-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756412
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 78911712
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 974484) is 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cc1ccccc1NCc1nc2ccccc2n1C.
What is the InChIKey of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is RDYNZGXJQGAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-7-3-4-8-13(12)17-11-16-18-14-9-5-6-10-15(14)19(16)2/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
2-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 2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 974484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).