2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline

C16H17N3 — CID 54920098

IUPAC2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nc2cc(C)ccc2n1C
InChIInChI=1S/C16H17N3/c1-11-8-9-15-14(10-11)18-16(19(15)3)12-6-4-5-7-13(12)17-2/h4-10,17H,1-3H3
InChIKeyRJFVQFBZGNOYPC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.59
Rot. Bonds2

About 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline

2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline (PubChem CID 54920098) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline
PubChem CID54920098
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1-c1nc2cc(C)ccc2n1C
InChIInChI=1S/C16H17N3/c1-11-8-9-15-14(10-11)18-16(19(15)3)12-6-4-5-7-13(12)17-2/h4-10,17H,1-3H3
InChIKeyRJFVQFBZGNOYPC-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dimethylphenyl)phenyl]-N,1-dimethylbenzimidazole-5-carboxamide
CID 176978825
2-(1,5-dimethylbenzimidazol-2-yl)thiophen-3-amine
CID 60785137
5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557786
1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole
CID 154743164
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
CID 143996079
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
CID 43142634
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole
CID 47273036
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline?
The IUPAC name of 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline (CID 54920098) is 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline?
The canonical SMILES for 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline is CNc1ccccc1-c1nc2cc(C)ccc2n1C.
What is the InChIKey of 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline?
The InChIKey is RJFVQFBZGNOYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-8-9-15-14(10-11)18-16(19(15)3)12-6-4-5-7-13(12)17-2/h4-10,17H,1-3H3.
What are the key properties of 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline?
2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline has a molecular weight of 251.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 54920098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).