N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

C23H26N6O2 — CID 112807743

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2nn(-c3ccccc3)cc2O)nc2ccccc21
InChIInChI=1S/C23H26N6O2/c1-3-27(4-2)14-15-28-19-13-9-8-12-18(19)24-23(28)25-22(31)21-20(30)16-29(26-21)17-10-6-5-7-11-17/h5-13,16,30H,3-4,14-15H2,1-2H3,(H,24,25,31)
InChIKeyJIQLVBHYHKHCKL-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.52
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 112807743) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID112807743
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2nn(-c3ccccc3)cc2O)nc2ccccc21
InChIInChI=1S/C23H26N6O2/c1-3-27(4-2)14-15-28-19-13-9-8-12-18(19)24-23(28)25-22(31)21-20(30)16-29(26-21)17-10-6-5-7-11-17/h5-13,16,30H,3-4,14-15H2,1-2H3,(H,24,25,31)
InChIKeyJIQLVBHYHKHCKL-UHFFFAOYSA-N
XLogP3.52
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55365598
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
CID 60567449
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 112807743) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is CCN(CC)CCn1c(NC(=O)c2nn(-c3ccccc3)cc2O)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is JIQLVBHYHKHCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-27(4-2)14-15-28-19-13-9-8-12-18(19)24-23(28)25-22(31)21-20(30)16-29(26-21)17-10-6-5-7-11-17/h5-13,16,30H,3-4,14-15H2,1-2H3,(H,24,25,31).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112807743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).