2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C19H24N6O3 — CID 19482801

IUPAC2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCN(CC)CCn1c(NC(=O)Cn2nccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C19H24N6O3/c1-3-23(4-2)11-12-24-15-8-6-5-7-14(15)21-19(24)22-17(26)13-25-16(18(27)28)9-10-20-25/h5-10H,3-4,11-13H2,1-2H3,(H,27,28)(H,21,22,26)
InChIKeyPOIUPMIJPWIMIH-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.91
Rot. Bonds9

About 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19482801) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19482801
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCN(CC)CCn1c(NC(=O)Cn2nccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C19H24N6O3/c1-3-23(4-2)11-12-24-15-8-6-5-7-14(15)21-19(24)22-17(26)13-25-16(18(27)28)9-10-20-25/h5-10H,3-4,11-13H2,1-2H3,(H,27,28)(H,21,22,26)
InChIKeyPOIUPMIJPWIMIH-UHFFFAOYSA-N
XLogP1.91
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 19520547
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
CID 19492211
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18289502
2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide
CID 19507320
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 40604553
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112807743
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556521
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19482801) is 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is CCN(CC)CCn1c(NC(=O)Cn2nccc2C(=O)O)nc2ccccc21.
What is the InChIKey of 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is POIUPMIJPWIMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-3-23(4-2)11-12-24-15-8-6-5-7-14(15)21-19(24)22-17(26)13-25-16(18(27)28)9-10-20-25/h5-10H,3-4,11-13H2,1-2H3,(H,27,28)(H,21,22,26).
What are the key properties of 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19482801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).