5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid

C16H23N3O2 — CID 82311950

IUPAC5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
SMILESCC(c1nc2ccccc2n1CCCCC(=O)O)N(C)C
InChIInChI=1S/C16H23N3O2/c1-12(18(2)3)16-17-13-8-4-5-9-14(13)19(16)11-7-6-10-15(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyKNWSFIVLNNNCDF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.91
Rot. Bonds7

About 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid

5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid (PubChem CID 82311950) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
PubChem CID82311950
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
SMILESCC(c1nc2ccccc2n1CCCCC(=O)O)N(C)C
InChIInChI=1S/C16H23N3O2/c1-12(18(2)3)16-17-13-8-4-5-9-14(13)19(16)11-7-6-10-15(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyKNWSFIVLNNNCDF-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
5-(2-pentan-3-ylbenzimidazol-1-yl)pentanoic acid
CID 82150158
3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid
CID 65063064
3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 15956454
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
4-[2-(1-chloroethyl)benzimidazol-1-yl]-N-cyclopropylbutanamide
CID 79377840

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid?
The IUPAC name of 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid (CID 82311950) is 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid is CC(c1nc2ccccc2n1CCCCC(=O)O)N(C)C.
What is the InChIKey of 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid?
The InChIKey is KNWSFIVLNNNCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(18(2)3)16-17-13-8-4-5-9-14(13)19(16)11-7-6-10-15(20)21/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid?
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid is sourced from PubChem (CID 82311950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).