3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid

C15H16N4O2 — CID 82774444

IUPAC3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2ccc(C(=O)O)cc2n1-c1cnn(C)c1
InChIInChI=1S/C15H16N4O2/c1-3-4-14-17-12-6-5-10(15(20)21)7-13(12)19(14)11-8-16-18(2)9-11/h5-9H,3-4H2,1-2H3,(H,20,21)
InChIKeyWFJAEDXJNQWKDV-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.41
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid

3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid (PubChem CID 82774444) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid
PubChem CID82774444
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid
SMILESCCCc1nc2ccc(C(=O)O)cc2n1-c1cnn(C)c1
InChIInChI=1S/C15H16N4O2/c1-3-4-14-17-12-6-5-10(15(20)21)7-13(12)19(14)11-8-16-18(2)9-11/h5-9H,3-4H2,1-2H3,(H,20,21)
InChIKeyWFJAEDXJNQWKDV-UHFFFAOYSA-N
XLogP2.41
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 82790362
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 53486107
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
3-[2-(ethylamino)-2-oxoethyl]-2-propylbenzimidazole-5-carboxylic acid
CID 82770724
3-[1-(methylamino)-1-oxopropan-2-yl]-2-propylbenzimidazole-5-carboxylic acid
CID 82769223
3-(oxolan-3-ylmethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 82774632
2-propyl-3-(thiophen-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82774746
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
CID 82773344
2-amino-3-propylbenzimidazole-5-carboxylic acid
CID 84786648
2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 83967736

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid (CID 82774444) is 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid is CCCc1nc2ccc(C(=O)O)cc2n1-c1cnn(C)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid?
The InChIKey is WFJAEDXJNQWKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-4-14-17-12-6-5-10(15(20)21)7-13(12)19(14)11-8-16-18(2)9-11/h5-9H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid?
3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-2-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82774444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).