3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid

C14H19N3O2 — CID 82790905

IUPAC3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1CCCN(C)C
InChIInChI=1S/C14H19N3O2/c1-10-15-12-6-5-11(14(18)19)9-13(12)17(10)8-4-7-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyMFHYEIPESFWQJR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid

3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 82790905) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid
PubChem CID82790905
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1CCCN(C)C
InChIInChI=1S/C14H19N3O2/c1-10-15-12-6-5-11(14(18)19)9-13(12)17(10)8-4-7-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyMFHYEIPESFWQJR-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid (CID 82790905) is 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is MFHYEIPESFWQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-15-12-6-5-11(14(18)19)9-13(12)17(10)8-4-7-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid?
3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).