3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

C26H25N7O2 — CID 118515910

IUPAC3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
InChIInChI=1S/C26H25N7O2/c1-3-32-22-17-18(23(34)28-25-29-31-33(4-2)30-25)15-16-21(22)27-24(32)26(35,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,35H,3-4H2,1-2H3,(H,28,30,34)
InChIKeyGAYCJTWIFXKMLS-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.60
Rot. Bonds7

About 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide

3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (PubChem CID 118515910) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
PubChem CID118515910
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
InChIInChI=1S/C26H25N7O2/c1-3-32-22-17-18(23(34)28-25-29-31-33(4-2)30-25)15-16-21(22)27-24(32)26(35,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,35H,3-4H2,1-2H3,(H,28,30,34)
InChIKeyGAYCJTWIFXKMLS-UHFFFAOYSA-N
XLogP3.60
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CV 11194
CID 3025727
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 135519894
2-Ethyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid
CID 9867026
4'-[[2-n-Propyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]methyl]biphenyl-2-carboxylic acid
CID 10051708
2-Butyl-6-methyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid
CID 15355268
2-Ethylamino-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
CID 15654703
2-Ethoxy-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-5-carboxylic acid
CID 15654718
2-Methyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
CID 15654741
2-propyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid
CID 15654742
2-Isopropyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid
CID 15654743
2-Pentyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid
CID 15654747

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide (CID 118515910) is 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is CCn1nnc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1.
What is the InChIKey of 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
The InChIKey is GAYCJTWIFXKMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-3-32-22-17-18(23(34)28-25-29-31-33(4-2)30-25)15-16-21(22)27-24(32)26(35,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,35H,3-4H2,1-2H3,(H,28,30,34).
What are the key properties of 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide?
3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethyltetrazol-5-yl)-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118515910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).