N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

C20H16F3N5O2 — CID 46977763

IUPACN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C20H16F3N5O2/c1-30-14-5-2-11(3-6-14)17-13(10-25-28-17)9-24-18(29)12-4-7-15-16(8-12)27-19(26-15)20(21,22)23/h2-8,10H,9H2,1H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyFGLBJMXNIRKJKO-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.91
Rot. Bonds5

About N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 46977763) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
PubChem CID46977763
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C20H16F3N5O2/c1-30-14-5-2-11(3-6-14)17-13(10-25-28-17)9-24-18(29)12-4-7-15-16(8-12)27-19(26-15)20(21,22)23/h2-8,10H,9H2,1H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyFGLBJMXNIRKJKO-UHFFFAOYSA-N
XLogP3.91
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 175710035
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70772191
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 91829160
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977755
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 55731133
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122560013

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (CID 46977763) is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is COc1ccc(-c2[nH]ncc2CNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FGLBJMXNIRKJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-30-14-5-2-11(3-6-14)17-13(10-25-28-17)9-24-18(29)12-4-7-15-16(8-12)27-19(26-15)20(21,22)23/h2-8,10H,9H2,1H3,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 415.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 46977763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).