2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid

C16H23N3O2 — CID 82142230

IUPAC2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
SMILESCCCc1nc2cc(CC(=O)O)ccc2n1CCN(C)C
InChIInChI=1S/C16H23N3O2/c1-4-5-15-17-13-10-12(11-16(20)21)6-7-14(13)19(15)9-8-18(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,21)
InChIKeyBPBHUNGVEXXFKM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.18
Rot. Bonds7

About 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid

2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid (PubChem CID 82142230) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
PubChem CID82142230
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid
SMILESCCCc1nc2cc(CC(=O)O)ccc2n1CCN(C)C
InChIInChI=1S/C16H23N3O2/c1-4-5-15-17-13-10-12(11-16(20)21)6-7-14(13)19(15)9-8-18(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,21)
InChIKeyBPBHUNGVEXXFKM-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]acetic acid
CID 94743217
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901
2-[2-butyl-1-(2-methylpropyl)benzimidazol-5-yl]acetic acid
CID 82142121
1-[2-(dimethylamino)ethyl]-2-henicosyl-N-methylbenzimidazole-5-carboxamide
CID 22013758
2-[1-butyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142170
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
CID 82332822
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333823

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid (CID 82142230) is 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid is CCCc1nc2cc(CC(=O)O)ccc2n1CCN(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid?
The InChIKey is BPBHUNGVEXXFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-15-17-13-10-12(11-16(20)21)6-7-14(13)19(15)9-8-18(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid?
2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).