2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid

C17H19N5O3 — CID 19487608

IUPAC2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCCn1c(NC(=O)c2ccnn2C(C)C(=O)O)nc2ccccc21
InChIInChI=1S/C17H19N5O3/c1-3-10-21-13-7-5-4-6-12(13)19-17(21)20-15(23)14-8-9-18-22(14)11(2)16(24)25/h4-9,11H,3,10H2,1-2H3,(H,24,25)(H,19,20,23)
InChIKeyACABPQVDTBONAW-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.54
Rot. Bonds6

About 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19487608) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19487608
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCCn1c(NC(=O)c2ccnn2C(C)C(=O)O)nc2ccccc21
InChIInChI=1S/C17H19N5O3/c1-3-10-21-13-7-5-4-6-12(13)19-17(21)20-15(23)14-8-9-18-22(14)11(2)16(24)25/h4-9,11H,3,10H2,1-2H3,(H,24,25)(H,19,20,23)
InChIKeyACABPQVDTBONAW-UHFFFAOYSA-N
XLogP2.54
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
CID 19492211
2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19506776
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887
5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525157
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19487608) is 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid is CCCn1c(NC(=O)c2ccnn2C(C)C(=O)O)nc2ccccc21.
What is the InChIKey of 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is ACABPQVDTBONAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-10-21-13-7-5-4-6-12(13)19-17(21)20-15(23)14-8-9-18-22(14)11(2)16(24)25/h4-9,11H,3,10H2,1-2H3,(H,24,25)(H,19,20,23).
What are the key properties of 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 341.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19487608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).