7-(3H-benzimidazole-5-carbonylamino)heptanoic acid

C15H19N3O3 — CID 24701477

IUPAC7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H19N3O3/c19-14(20)5-3-1-2-4-8-16-15(21)11-6-7-12-13(9-11)18-10-17-12/h6-7,9-10H,1-5,8H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyQMNJTBQUPSBTTO-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.33
Rot. Bonds8

About 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid

7-(3H-benzimidazole-5-carbonylamino)heptanoic acid (PubChem CID 24701477) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
PubChem CID24701477
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H19N3O3/c19-14(20)5-3-1-2-4-8-16-15(21)11-6-7-12-13(9-11)18-10-17-12/h6-7,9-10H,1-5,8H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyQMNJTBQUPSBTTO-UHFFFAOYSA-N
XLogP2.33
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-(3-ethenoxypropyl)-3H-benzimidazole-5-carboxamide
CID 60670634
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108542173
3-(3H-benzimidazole-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166620
4-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002921
N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide;hydrochloride
CID 121379529

Frequently Asked Questions

What is the IUPAC name of 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid?
The IUPAC name of 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid (CID 24701477) is 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid.
What is the SMILES notation for 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid?
The canonical SMILES for 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid?
The InChIKey is QMNJTBQUPSBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(20)5-3-1-2-4-8-16-15(21)11-6-7-12-13(9-11)18-10-17-12/h6-7,9-10H,1-5,8H2,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid?
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3H-benzimidazole-5-carbonylamino)heptanoic acid is sourced from PubChem (CID 24701477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).