2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine

C14H19N3 — CID 112735043

IUPAC2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1cc2nc(C(N)CC3CC3)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-8-5-12-13(6-9(8)2)17-14(16-12)11(15)7-10-3-4-10/h5-6,10-11H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyZEMLVEXKKTUXFU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.98
Rot. Bonds3

About 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine

2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 112735043) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID112735043
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1cc2nc(C(N)CC3CC3)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-8-5-12-13(6-9(8)2)17-14(16-12)11(15)7-10-3-4-10/h5-6,10-11H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyZEMLVEXKKTUXFU-UHFFFAOYSA-N
XLogP2.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Parbendazole
CID 26596
Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
1H-Benzimidazole-2-methanamine
CID 145820
Pf-06305591
CID 71666749
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
1H-Benzimidazole-2-pentanamine
CID 162387
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
Hemi-Babim
CID 1282

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine (CID 112735043) is 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine is Cc1cc2nc(C(N)CC3CC3)[nH]c2cc1C.
What is the InChIKey of 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is ZEMLVEXKKTUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-8-5-12-13(6-9(8)2)17-14(16-12)11(15)7-10-3-4-10/h5-6,10-11H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine?
2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 112735043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).