(E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide

C17H15N3O2 — CID 2583795

IUPAC(E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15N3O2/c1-22-15-9-5-2-6-12(15)10-11-16(21)20-17-18-13-7-3-4-8-14(13)19-17/h2-11H,1H3,(H2,18,19,20,21)/b11-10+
InChIKeyBIIDGCROUKGCGK-ZHACJKMWSA-N
MW293.33 g/mol
LogP3.22
Rot. Bonds4

About (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 2583795) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID2583795
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H15N3O2/c1-22-15-9-5-2-6-12(15)10-11-16(21)20-17-18-13-7-3-4-8-14(13)19-17/h2-11H,1H3,(H2,18,19,20,21)/b11-10+
InChIKeyBIIDGCROUKGCGK-ZHACJKMWSA-N
XLogP3.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 31494043
(E)-N-(1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 746959
(E)-N-(1H-benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 2583293
N-(1H-benzimidazol-2-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4812617
N-(1H-benzimidazol-2-ylmethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78811558
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55380893
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
CID 139747232

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide (CID 2583795) is (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is BIIDGCROUKGCGK-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-9-5-2-6-12(15)10-11-16(21)20-17-18-13-7-3-4-8-14(13)19-17/h2-11H,1H3,(H2,18,19,20,21)/b11-10+.
What are the key properties of (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1H-benzimidazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2583795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).