2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride

C14H22ClN3 — CID 122169362

IUPAC2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
SMILESCC(C)C(N)c1nc2ccccc2n1C(C)C.Cl
InChIInChI=1S/C14H21N3.ClH/c1-9(2)13(15)14-16-11-7-5-6-8-12(11)17(14)10(3)4;/h5-10,13H,15H2,1-4H3;1H
InChIKeyQWBGBNFNCBYEBK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.69
Rot. Bonds3

About 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride

2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride (PubChem CID 122169362) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
PubChem CID122169362
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
SMILESCC(C)C(N)c1nc2ccccc2n1C(C)C.Cl
InChIInChI=1S/C14H21N3.ClH/c1-9(2)13(15)14-16-11-7-5-6-8-12(11)17(14)10(3)4;/h5-10,13H,15H2,1-4H3;1H
InChIKeyQWBGBNFNCBYEBK-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride (CID 122169362) is 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride is CC(C)C(N)c1nc2ccccc2n1C(C)C.Cl.
What is the InChIKey of 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride?
The InChIKey is QWBGBNFNCBYEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.ClH/c1-9(2)13(15)14-16-11-7-5-6-8-12(11)17(14)10(3)4;/h5-10,13H,15H2,1-4H3;1H.
What are the key properties of 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride?
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 122169362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).