2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid

C15H21N3O2 — CID 82310954

IUPAC2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(C(C)N(C)C)n(CC(=O)O)c2cc1C
InChIInChI=1S/C15H21N3O2/c1-9-6-12-13(7-10(9)2)18(8-14(19)20)15(16-12)11(3)17(4)5/h6-7,11H,8H2,1-5H3,(H,19,20)
InChIKeyXSVWPPLRVRZBCI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.36
Rot. Bonds4

About 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid

2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid (PubChem CID 82310954) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
PubChem CID82310954
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
SMILESCc1cc2nc(C(C)N(C)C)n(CC(=O)O)c2cc1C
InChIInChI=1S/C15H21N3O2/c1-9-6-12-13(7-10(9)2)18(8-14(19)20)15(16-12)11(3)17(4)5/h6-7,11H,8H2,1-5H3,(H,19,20)
InChIKeyXSVWPPLRVRZBCI-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62337121
2-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 55159468
2-[5,6-dimethyl-2-(3-methylbutyl)benzimidazol-1-yl]acetic acid
CID 62336746
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
2-[2-(cyclopropylmethyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 62335822
2-[2-(4-aminophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 71683625
N-propan-2-yl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028520
2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 84796849
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid (CID 82310954) is 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid is Cc1cc2nc(C(C)N(C)C)n(CC(=O)O)c2cc1C.
What is the InChIKey of 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
The InChIKey is XSVWPPLRVRZBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-6-12-13(7-10(9)2)18(8-14(19)20)15(16-12)11(3)17(4)5/h6-7,11H,8H2,1-5H3,(H,19,20).
What are the key properties of 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid?
2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 82310954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).