2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide

C23H23FN6O4 — CID 142983866

IUPAC2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(C(=O)NCCOCCO)cc2[nH]1
InChIInChI=1S/C23H23FN6O4/c1-13-3-2-4-15(24)19(13)23(33)29-18-12-26-30-20(18)21-27-16-6-5-14(11-17(16)28-21)22(32)25-7-9-34-10-8-31/h2-6,11-12,31H,7-10H2,1H3,(H,25,32)(H,26,30)(H,27,28)(H,29,33)
InChIKeyLMONREPSWWESQV-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.39
Rot. Bonds9

About 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide

2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 142983866) has the molecular formula C23H23FN6O4 and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID142983866
Molecular FormulaC23H23FN6O4
Molecular Weight466.47 g/mol
Exact Mass466.18
IUPAC Name2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(C(=O)NCCOCCO)cc2[nH]1
InChIInChI=1S/C23H23FN6O4/c1-13-3-2-4-15(24)19(13)23(33)29-18-12-26-30-20(18)21-27-16-6-5-14(11-17(16)28-21)22(32)25-7-9-34-10-8-31/h2-6,11-12,31H,7-10H2,1H3,(H,25,32)(H,26,30)(H,27,28)(H,29,33)
InChIKeyLMONREPSWWESQV-UHFFFAOYSA-N
XLogP2.39
TPSA145.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}benzamide
CID 135566358
N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}benzamide
CID 135909511
[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 56669088
4-{[2-(4-{[(4-Fluorophenyl)carbonyl]amino}-1H-pyrazol-3-YL)-1H-benzimidazol-6-YL]methyl}morpholin-4-ium
CID 135566357
N-cyclopropyl-5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazole-4-carboxamide
CID 168281823
N-(2-methoxyethyl)-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide
CID 165414971
N-methyl-6-[[1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carbonyl]amino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415050
N-methyl-2-phenyl-6-(1H-pyrazole-5-carbonylamino)-3H-benzimidazole-5-carboxamide
CID 165415128
3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide
CID 118454045
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
CID 118463896
N-{1-[3-(4-Fluorophenyl)-1H-pyrazol-5-YL]piperidin-3-YL}-1H-1,3-benzodiazole-5-carboxamide
CID 91887901
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-fluoro-4-(1,2,4-triazol-4-yl)benzamide
CID 118736116

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide (CID 142983866) is 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide is Cc1cccc(F)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(C(=O)NCCOCCO)cc2[nH]1.
What is the InChIKey of 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LMONREPSWWESQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O4/c1-13-3-2-4-15(24)19(13)23(33)29-18-12-26-30-20(18)21-27-16-6-5-14(11-17(16)28-21)22(32)25-7-9-34-10-8-31/h2-6,11-12,31H,7-10H2,1H3,(H,25,32)(H,26,30)(H,27,28)(H,29,33).
What are the key properties of 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 2.39, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoro-6-methylbenzoyl)amino]-1H-pyrazol-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 142983866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).