8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid

C23H25N7O3 — CID 67729456

IUPAC8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCn1c(NC(=O)c2ccccc2-c2nn[nH]n2)nc2ccccc21
InChIInChI=1S/C23H25N7O3/c31-20(32)14-4-2-1-3-9-15-30-19-13-8-7-12-18(19)24-23(30)25-22(33)17-11-6-5-10-16(17)21-26-28-29-27-21/h5-8,10-13H,1-4,9,14-15H2,(H,31,32)(H,24,25,33)(H,26,27,28,29)
InChIKeyGHIJJGZBEBNAIB-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.89
Rot. Bonds11

About 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid

8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid (PubChem CID 67729456) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid
PubChem CID67729456
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid
SMILESO=C(O)CCCCCCCn1c(NC(=O)c2ccccc2-c2nn[nH]n2)nc2ccccc21
InChIInChI=1S/C23H25N7O3/c31-20(32)14-4-2-1-3-9-15-30-19-13-8-7-12-18(19)24-23(30)25-22(33)17-11-6-5-10-16(17)21-26-28-29-27-21/h5-8,10-13H,1-4,9,14-15H2,(H,31,32)(H,24,25,33)(H,26,27,28,29)
InChIKeyGHIJJGZBEBNAIB-UHFFFAOYSA-N
XLogP3.89
TPSA138.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
N-(1-benzylbenzimidazol-2-yl)-2,3-difluorobenzamide
CID 19577208
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
2-[(1-butylbenzimidazol-2-yl)carbamoyl]-5-nitrobenzoic acid
CID 56690839
5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid
CID 82150158

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid?
The IUPAC name of 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid (CID 67729456) is 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid.
What is the SMILES notation for 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid?
The canonical SMILES for 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid is O=C(O)CCCCCCCn1c(NC(=O)c2ccccc2-c2nn[nH]n2)nc2ccccc21.
What is the InChIKey of 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid?
The InChIKey is GHIJJGZBEBNAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c31-20(32)14-4-2-1-3-9-15-30-19-13-8-7-12-18(19)24-23(30)25-22(33)17-11-6-5-10-16(17)21-26-28-29-27-21/h5-8,10-13H,1-4,9,14-15H2,(H,31,32)(H,24,25,33)(H,26,27,28,29).
What are the key properties of 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid?
8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid has a molecular weight of 447.50 g/mol, XLogP of 3.89, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[2-(2H-tetrazol-5-yl)benzoyl]amino]benzimidazol-1-yl]octanoic acid is sourced from PubChem (CID 67729456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).