1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine

C13H19N3 — CID 82947373

IUPAC1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-5-10(14-4)13-15-11-7-8(2)6-9(3)12(11)16-13/h6-7,10,14H,5H2,1-4H3,(H,15,16)
InChIKeyUBSNMRQVUVLIKD-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.85
Rot. Bonds3

About 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine

1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 82947373) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
PubChem CID82947373
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-5-10(14-4)13-15-11-7-8(2)6-9(3)12(11)16-13/h6-7,10,14H,5H2,1-4H3,(H,15,16)
InChIKeyUBSNMRQVUVLIKD-UHFFFAOYSA-N
XLogP2.85
TPSA40.71 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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine (CID 82947373) is 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine is CCC(NC)c1nc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is UBSNMRQVUVLIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-10(14-4)13-15-11-7-8(2)6-9(3)12(11)16-13/h6-7,10,14H,5H2,1-4H3,(H,15,16).
What are the key properties of 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 82947373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).