5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole

C20H15N7 — CID 155051482

IUPAC5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole
SMILESc1ccc2[nH]c(-c3ccc4c(c3)NC(c3ccc5n[nH]nc5c3)N4)nc2c1
InChIInChI=1S/C20H15N7/c1-2-4-14-13(3-1)21-19(22-14)11-5-7-15-17(9-11)24-20(23-15)12-6-8-16-18(10-12)26-27-25-16/h1-10,20,23-24H,(H,21,22)(H,25,26,27)
InChIKeyNRJVMHKRYPHVBU-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.04
Rot. Bonds2

About 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole

5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole (PubChem CID 155051482) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole.

Molecular Properties

Compound Name5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole
PubChem CID155051482
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole
SMILESc1ccc2[nH]c(-c3ccc4c(c3)NC(c3ccc5n[nH]nc5c3)N4)nc2c1
InChIInChI=1S/C20H15N7/c1-2-4-14-13(3-1)21-19(22-14)11-5-7-15-17(9-11)24-20(23-15)12-6-8-16-18(10-12)26-27-25-16/h1-10,20,23-24H,(H,21,22)(H,25,26,27)
InChIKeyNRJVMHKRYPHVBU-UHFFFAOYSA-N
XLogP4.04
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-benzimidazol-2-yl)-2H-benzotriazole;molecular hydrogen
CID 145194821
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CID 168555470
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane
CID 90864973
2-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1H-benzimidazole
CID 168554502
N'-cyclobutyl-2-[2-(3-methylphenyl)-2,3-dihydro-1H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 146521829
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
4-[6-(6-imidazolidin-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol
CID 1782
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
azane;2-phenyl-1H-benzimidazole
CID 172858780

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole?
The IUPAC name of 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole (CID 155051482) is 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole.
What is the SMILES notation for 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole?
The canonical SMILES for 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole is c1ccc2[nH]c(-c3ccc4c(c3)NC(c3ccc5n[nH]nc5c3)N4)nc2c1.
What is the InChIKey of 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole?
The InChIKey is NRJVMHKRYPHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c1-2-4-14-13(3-1)21-19(22-14)11-5-7-15-17(9-11)24-20(23-15)12-6-8-16-18(10-12)26-27-25-16/h1-10,20,23-24H,(H,21,22)(H,25,26,27).
What are the key properties of 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole?
5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole has a molecular weight of 353.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2H-benzotriazole is sourced from PubChem (CID 155051482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).