1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine

C13H19N3 — CID 82493442

IUPAC1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
SMILESCCc1nc2ccc(CC(C)(C)N)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-4-12-15-10-6-5-9(7-11(10)16-12)8-13(2,3)14/h5-7H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHIBYLGYDJWJBQP-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.41
Rot. Bonds3

About 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine

1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine (PubChem CID 82493442) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
PubChem CID82493442
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
SMILESCCc1nc2ccc(CC(C)(C)N)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-4-12-15-10-6-5-9(7-11(10)16-12)8-13(2,3)14/h5-7H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHIBYLGYDJWJBQP-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminobenzimidazole
CID 13624
5,6-Dimethylbenzimidazole
CID 675
Parbendazole
CID 26596
Bendazol
CID 12132
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-(Trifluoromethyl)-1H-benzimidazole
CID 67560
2-Ethylbenzimidazole
CID 15807
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine (CID 82493442) is 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine is CCc1nc2ccc(CC(C)(C)N)cc2[nH]1.
What is the InChIKey of 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine?
The InChIKey is HIBYLGYDJWJBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-12-15-10-6-5-9(7-11(10)16-12)8-13(2,3)14/h5-7H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine?
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82493442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).