(E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide

C19H17Cl2N3O — CID 26444070

IUPAC(E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
SMILESCc1nc2ccccc2n1CCNC(=O)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-13-23-16-7-2-3-8-17(16)24(13)12-11-22-18(25)10-9-14-5-4-6-15(20)19(14)21/h2-10H,11-12H2,1H3,(H,22,25)/b10-9+
InChIKeyMNTILUPVPPTDID-MDZDMXLPSA-N
MW374.27 g/mol
LogP4.48
Rot. Bonds5

About (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide

(E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide (PubChem CID 26444070) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
PubChem CID26444070
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name(E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
SMILESCc1nc2ccccc2n1CCNC(=O)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-13-23-16-7-2-3-8-17(16)24(13)12-11-22-18(25)10-9-14-5-4-6-15(20)19(14)21/h2-10H,11-12H2,1H3,(H,22,25)/b10-9+
InChIKeyMNTILUPVPPTDID-MDZDMXLPSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 31266525
(E)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26443980
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 55440681
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]prop-2-enamide
CID 78779159
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enamide
CID 71881679
(E)-3-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 26443945
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]prop-2-enamide
CID 78779154
3-(1,3-benzodioxol-5-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]prop-2-enamide
CID 55520927
(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 127031291

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide (CID 26444070) is (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide is Cc1nc2ccccc2n1CCNC(=O)/C=C/c1cccc(Cl)c1Cl.
What is the InChIKey of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is MNTILUPVPPTDID-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-13-23-16-7-2-3-8-17(16)24(13)12-11-22-18(25)10-9-14-5-4-6-15(20)19(14)21/h2-10H,11-12H2,1H3,(H,22,25)/b10-9+.
What are the key properties of (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide?
(E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide has a molecular weight of 374.27 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 26444070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).