1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine

C18H20N6 — CID 22181472

IUPAC1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine
SMILESCC(C(c1nc2ccccc2[nH]1)n1nnc2ccccc21)N(C)C
InChIInChI=1S/C18H20N6/c1-12(23(2)3)17(18-19-13-8-4-5-9-14(13)20-18)24-16-11-7-6-10-15(16)21-22-24/h4-12,17H,1-3H3,(H,19,20)
InChIKeyURNXQDIJOBGFTK-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.85
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine

1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine (PubChem CID 22181472) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine
PubChem CID22181472
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine
SMILESCC(C(c1nc2ccccc2[nH]1)n1nnc2ccccc21)N(C)C
InChIInChI=1S/C18H20N6/c1-12(23(2)3)17(18-19-13-8-4-5-9-14(13)20-18)24-16-11-7-6-10-15(16)21-22-24/h4-12,17H,1-3H3,(H,19,20)
InChIKeyURNXQDIJOBGFTK-UHFFFAOYSA-N
XLogP2.85
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yl-1H-benzimidazole
CID 22121
1-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzotriazol-4-yl]-N,N-dimethylethanamine
CID 22391636
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole
CID 175519385
4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione
CID 107409781
2-[(1R)-1,2,2,2-tetrafluoroethyl]-1H-benzimidazole
CID 683204
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine (CID 22181472) is 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine is CC(C(c1nc2ccccc2[nH]1)n1nnc2ccccc21)N(C)C.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is URNXQDIJOBGFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-12(23(2)3)17(18-19-13-8-4-5-9-14(13)20-18)24-16-11-7-6-10-15(16)21-22-24/h4-12,17H,1-3H3,(H,19,20).
What are the key properties of 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine?
1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 320.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-1-(benzotriazol-1-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 22181472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).