2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine

C20H24N6 — CID 6481612

IUPAC2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cc2nc(Cn3nnc4ccccc43)n(CCN(C)C)c2cc1C
InChIInChI=1S/C20H24N6/c1-14-11-17-19(12-15(14)2)25(10-9-24(3)4)20(21-17)13-26-18-8-6-5-7-16(18)22-23-26/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeySKRCUBCWLJQVTC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.01
Rot. Bonds5

About 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 6481612) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID6481612
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCc1cc2nc(Cn3nnc4ccccc43)n(CCN(C)C)c2cc1C
InChIInChI=1S/C20H24N6/c1-14-11-17-19(12-15(14)2)25(10-9-24(3)4)20(21-17)13-26-18-8-6-5-7-16(18)22-23-26/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeySKRCUBCWLJQVTC-UHFFFAOYSA-N
XLogP3.01
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272017
3-[2-(benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 6481608
1-[2-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-2-amine
CID 82359073
2-[3-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]propanimidoyl-(carboxymethyl)amino]acetic acid
CID 91373890
2-[2-(benzotriazol-1-ylmethyl)-5-nitrobenzimidazol-1-yl]ethyl-trimethylazanium
CID 6481610
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
CID 101452435
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
3-(benzotriazol-1-ylmethyl)-4-butyl-1H-1,2,4-triazole-5-thione
CID 14448175
1-[[2,6-bis(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]methyl]benzotriazole
CID 137424006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine (CID 6481612) is 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine is Cc1cc2nc(Cn3nnc4ccccc43)n(CCN(C)C)c2cc1C.
What is the InChIKey of 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is SKRCUBCWLJQVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-14-11-17-19(12-15(14)2)25(10-9-24(3)4)20(21-17)13-26-18-8-6-5-7-16(18)22-23-26/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 348.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-1-ylmethyl)-5,6-dimethylbenzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 6481612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).