3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine

C13H19N3 — CID 81073665

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCc1cc2nc(CC(C)CN)[nH]c2cc1C
InChIInChI=1S/C13H19N3/c1-8(7-14)4-13-15-11-5-9(2)10(3)6-12(11)16-13/h5-6,8H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyUATKPWXPRHYPPK-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.32
Rot. Bonds3

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 81073665) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID81073665
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCc1cc2nc(CC(C)CN)[nH]c2cc1C
InChIInChI=1S/C13H19N3/c1-8(7-14)4-13-15-11-5-9(2)10(3)6-12(11)16-13/h5-6,8H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyUATKPWXPRHYPPK-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine (CID 81073665) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine is Cc1cc2nc(CC(C)CN)[nH]c2cc1C.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is UATKPWXPRHYPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(7-14)4-13-15-11-5-9(2)10(3)6-12(11)16-13/h5-6,8H,4,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 81073665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).