N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide

C22H22FN5O — CID 22380060

IUPACN,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)nc(Cc1ccnn1-c1cccc(F)c1)n2CC
InChIInChI=1S/C22H22FN5O/c1-3-24-22(29)15-8-9-20-19(12-15)26-21(27(20)4-2)14-18-10-11-25-28(18)17-7-5-6-16(23)13-17/h5-13H,3-4,14H2,1-2H3,(H,24,29)
InChIKeyBUWZVGPWBPPIPC-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.72
Rot. Bonds6

About N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide

N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide (PubChem CID 22380060) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide
PubChem CID22380060
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC NameN,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)nc(Cc1ccnn1-c1cccc(F)c1)n2CC
InChIInChI=1S/C22H22FN5O/c1-3-24-22(29)15-8-9-20-19(12-15)26-21(27(20)4-2)14-18-10-11-25-28(18)17-7-5-6-16(23)13-17/h5-13H,3-4,14H2,1-2H3,(H,24,29)
InChIKeyBUWZVGPWBPPIPC-UHFFFAOYSA-N
XLogP3.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide (CID 22380060) is N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide is CCNC(=O)c1ccc2c(c1)nc(Cc1ccnn1-c1cccc(F)c1)n2CC.
What is the InChIKey of N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide?
The InChIKey is BUWZVGPWBPPIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-3-24-22(29)15-8-9-20-19(12-15)26-21(27(20)4-2)14-18-10-11-25-28(18)17-7-5-6-16(23)13-17/h5-13H,3-4,14H2,1-2H3,(H,24,29).
What are the key properties of N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide?
N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-2-[[2-(3-fluorophenyl)pyrazol-3-yl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 22380060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).