6-(3H-benzimidazole-5-carbonylamino)hexanoic acid

C14H17N3O3 — CID 24693312

IUPAC6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c18-13(19)4-2-1-3-7-15-14(20)10-5-6-11-12(8-10)17-9-16-11/h5-6,8-9H,1-4,7H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyFLEYWFPDWGMRNP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.94
Rot. Bonds7

About 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid

6-(3H-benzimidazole-5-carbonylamino)hexanoic acid (PubChem CID 24693312) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
PubChem CID24693312
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H17N3O3/c18-13(19)4-2-1-3-7-15-14(20)10-5-6-11-12(8-10)17-9-16-11/h5-6,8-9H,1-4,7H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyFLEYWFPDWGMRNP-UHFFFAOYSA-N
XLogP1.94
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.94
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

7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
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 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid?
The IUPAC name of 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid (CID 24693312) is 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid?
The canonical SMILES for 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid is O=C(O)CCCCCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid?
The InChIKey is FLEYWFPDWGMRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(19)4-2-1-3-7-15-14(20)10-5-6-11-12(8-10)17-9-16-11/h5-6,8-9H,1-4,7H2,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid?
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazole-5-carbonylamino)hexanoic acid is sourced from PubChem (CID 24693312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).