1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine

C13H19N3 — CID 82493454

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCc1nc2cc(C(N)C(C)C)ccc2n1C
InChIInChI=1S/C13H19N3/c1-8(2)13(14)10-5-6-12-11(7-10)15-9(3)16(12)4/h5-8,13H,14H2,1-4H3
InChIKeyOVHFQLHKDPEEIL-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.54
Rot. Bonds2

About 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine

1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine (PubChem CID 82493454) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
PubChem CID82493454
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCc1nc2cc(C(N)C(C)C)ccc2n1C
InChIInChI=1S/C13H19N3/c1-8(2)13(14)10-5-6-12-11(7-10)15-9(3)16(12)4/h5-8,13H,14H2,1-4H3
InChIKeyOVHFQLHKDPEEIL-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine (CID 82493454) is 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine is Cc1nc2cc(C(N)C(C)C)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
The InChIKey is OVHFQLHKDPEEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)13(14)10-5-6-12-11(7-10)15-9(3)16(12)4/h5-8,13H,14H2,1-4H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine?
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82493454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).