N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C16H14F3N5O — CID 136711440

IUPACN-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC/C(=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C16H14F3N5O/c1-10(11-6-4-8-20-11)22-23-14(25)9-24-13-7-3-2-5-12(13)21-15(24)16(17,18)19/h2-8,20H,9H2,1H3,(H,23,25)/b22-10-
InChIKeySRQSAWXSXPZOAA-YVNNLAQVSA-N
MW349.32 g/mol
LogP2.92
Rot. Bonds4

About N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 136711440) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID136711440
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC NameN-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESC/C(=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C16H14F3N5O/c1-10(11-6-4-8-20-11)22-23-14(25)9-24-13-7-3-2-5-12(13)21-15(24)16(17,18)19/h2-8,20H,9H2,1H3,(H,23,25)/b22-10-
InChIKeySRQSAWXSXPZOAA-YVNNLAQVSA-N
XLogP2.92
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
N-(1-naphthalen-2-ylethylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5223322
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4260575
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121418
N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4027824
N-(2,3-dihydroinden-1-ylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 3561013
N-[(E)-(2,4-dimethylphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 42996927
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 136711440) is N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is C/C(=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc[nH]1.
What is the InChIKey of N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is SRQSAWXSXPZOAA-YVNNLAQVSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10(11-6-4-8-20-11)22-23-14(25)9-24-13-7-3-2-5-12(13)21-15(24)16(17,18)19/h2-8,20H,9H2,1H3,(H,23,25)/b22-10-.
What are the key properties of N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 349.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-pyrrol-2-yl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 136711440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).