(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide

C21H20F3N3O — CID 11383636

IUPAC(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
SMILESCCN(CC)C(=O)/C=C\c1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12
InChIInChI=1S/C21H20F3N3O/c1-3-26(4-2)19(28)11-10-15-12-16(21(22,23)24)13-18-20(15)27(14-25-18)17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3/b11-10-
InChIKeyYJBDUOGFLWIRMY-KHPPLWFESA-N
MW387.41 g/mol
LogP4.93
Rot. Bonds5

About (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide

(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide (PubChem CID 11383636) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
PubChem CID11383636
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
SMILESCCN(CC)C(=O)/C=C\c1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12
InChIInChI=1S/C21H20F3N3O/c1-3-26(4-2)19(28)11-10-15-12-16(21(22,23)24)13-18-20(15)27(14-25-18)17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3/b11-10-
InChIKeyYJBDUOGFLWIRMY-KHPPLWFESA-N
XLogP4.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
CID 67487509
(E)-N-(2-cyanoethyl)-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
CID 68681675
3-(6-tert-butyl-3-phenylbenzimidazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide;2,2,2-trifluoroacetic acid
CID 68680874
(Z)-N-[(1-methylpiperidin-4-yl)methyl]-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide
CID 11224517
(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 175921342
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N,N-diethylprop-2-enamide
CID 1322616
N,N-diethyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1340732
3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
CID 11462328
(E)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 135821128
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
(E)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26356752
7-iodo-1-phenyl-5-(trifluoromethyl)benzimidazole;1-phenyl-7-pyridin-3-yl-5-(trifluoromethyl)benzimidazole
CID 159280490

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide?
The IUPAC name of (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide (CID 11383636) is (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide is CCN(CC)C(=O)/C=C\c1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12.
What is the InChIKey of (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide?
The InChIKey is YJBDUOGFLWIRMY-KHPPLWFESA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-3-26(4-2)19(28)11-10-15-12-16(21(22,23)24)13-18-20(15)27(14-25-18)17-8-6-5-7-9-17/h5-14H,3-4H2,1-2H3/b11-10-.
What are the key properties of (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide?
(Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide has a molecular weight of 387.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyl-3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]prop-2-enamide is sourced from PubChem (CID 11383636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).