2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C20H26N6O3 — CID 19502887

IUPAC2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCN(CC)CCn1c(NC(=O)c2cnn(C(C)C(=O)O)c2)nc2ccccc21
InChIInChI=1S/C20H26N6O3/c1-4-24(5-2)10-11-25-17-9-7-6-8-16(17)22-20(25)23-18(27)15-12-21-26(13-15)14(3)19(28)29/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,28,29)(H,22,23,27)
InChIKeyDTOIYDUARQNDTJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.47
Rot. Bonds9

About 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19502887) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19502887
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCN(CC)CCn1c(NC(=O)c2cnn(C(C)C(=O)O)c2)nc2ccccc21
InChIInChI=1S/C20H26N6O3/c1-4-24(5-2)10-11-25-17-9-7-6-8-16(17)22-20(25)23-18(27)15-12-21-26(13-15)14(3)19(28)29/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,28,29)(H,22,23,27)
InChIKeyDTOIYDUARQNDTJ-UHFFFAOYSA-N
XLogP2.47
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide
CID 19549724
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-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55365598
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112807743
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487608
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide
CID 60567418
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19502887) is 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CCN(CC)CCn1c(NC(=O)c2cnn(C(C)C(=O)O)c2)nc2ccccc21.
What is the InChIKey of 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DTOIYDUARQNDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-4-24(5-2)10-11-25-17-9-7-6-8-16(17)22-20(25)23-18(27)15-12-21-26(13-15)14(3)19(28)29/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,28,29)(H,22,23,27).
What are the key properties of 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 398.47 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19502887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).