1,7-dimethylbenzimidazol-2-amine;ethane

C11H17N3 — CID 170767427

IUPAC1,7-dimethylbenzimidazol-2-amine;ethane
SMILESCC.Cc1cccc2nc(N)n(C)c12
InChIInChI=1S/C9H11N3.C2H6/c1-6-4-3-5-7-8(6)12(2)9(10)11-7;1-2/h3-5H,1-2H3,(H2,10,11);1-2H3
InChIKeyYTDZPEPRLJHMNR-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.49
Rot. Bonds

About 1,7-dimethylbenzimidazol-2-amine;ethane

1,7-dimethylbenzimidazol-2-amine;ethane (PubChem CID 170767427) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1,7-dimethylbenzimidazol-2-amine;ethane.

Molecular Properties

Compound Name1,7-dimethylbenzimidazol-2-amine;ethane
PubChem CID170767427
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1,7-dimethylbenzimidazol-2-amine;ethane
SMILESCC.Cc1cccc2nc(N)n(C)c12
InChIInChI=1S/C9H11N3.C2H6/c1-6-4-3-5-7-8(6)12(2)9(10)11-7;1-2/h3-5H,1-2H3,(H2,10,11);1-2H3
InChIKeyYTDZPEPRLJHMNR-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,7-trimethylbenzimidazole-1,2-diamine
CID 83017594
7-tert-butyl-1-methylbenzimidazol-2-amine
CID 84620080
3-(1,7-dimethylbenzimidazol-2-yl)-2-methylaniline
CID 81456663
2-amino-5-(1,7-dimethylbenzimidazol-2-yl)phenol
CID 81456673
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
1-methyl-7-[(E)-prop-1-enyl]benzimidazol-2-amine
CID 141184084
4-[(1,7-dimethylbenzimidazol-2-yl)methyl]aniline
CID 81454969
5-(1,7-dimethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 81455592
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-methyl-7-nitrobenzimidazol-2-amine
CID 57386848
4-(1,7-dimethylbenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 81456471

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylbenzimidazol-2-amine;ethane?
The IUPAC name of 1,7-dimethylbenzimidazol-2-amine;ethane (CID 170767427) is 1,7-dimethylbenzimidazol-2-amine;ethane.
What is the SMILES notation for 1,7-dimethylbenzimidazol-2-amine;ethane?
The canonical SMILES for 1,7-dimethylbenzimidazol-2-amine;ethane is CC.Cc1cccc2nc(N)n(C)c12.
What is the InChIKey of 1,7-dimethylbenzimidazol-2-amine;ethane?
The InChIKey is YTDZPEPRLJHMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2H6/c1-6-4-3-5-7-8(6)12(2)9(10)11-7;1-2/h3-5H,1-2H3,(H2,10,11);1-2H3.
What are the key properties of 1,7-dimethylbenzimidazol-2-amine;ethane?
1,7-dimethylbenzimidazol-2-amine;ethane has a molecular weight of 191.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylbenzimidazol-2-amine;ethane is sourced from PubChem (CID 170767427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).