N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide

C17H15N3O2 — CID 11437815

IUPACN-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cccc(OC)c3)c2c1
InChIInChI=1S/C17H15N3O2/c1-3-17(21)19-12-7-8-15-16(9-12)20(11-18-15)13-5-4-6-14(10-13)22-2/h3-11H,1H2,2H3,(H,19,21)
InChIKeyPCOBWTJCRXXTBQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.16
Rot. Bonds4

About N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide

N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 11437815) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide
PubChem CID11437815
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncn(-c3cccc(OC)c3)c2c1
InChIInChI=1S/C17H15N3O2/c1-3-17(21)19-12-7-8-15-16(9-12)20(11-18-15)13-5-4-6-14(10-13)22-2/h3-11H,1H2,2H3,(H,19,21)
InChIKeyPCOBWTJCRXXTBQ-UHFFFAOYSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[6-(3-methoxyanilino)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783946
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-[3-[5-(hydroxymethyl)benzimidazol-1-yl]phenyl]prop-2-enamide
CID 141389788
N-[3-(6-ethylpyrazin-2-yl)benzimidazol-5-yl]prop-2-enamide
CID 58217133
6-methoxy-1-phenylbenzimidazole
CID 652633
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
N-[3-[6-[[(2S)-butan-2-yl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 11416423
N-[3-[6-(2-methylpropyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 58217134
N-[3-[6-(dibenzylamino)-2-(4-methoxyanilino)purin-9-yl]phenyl]prop-2-enamide
CID 118420566
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169
N-[3-[2-(4-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]prop-2-enamide
CID 135329617
N-[1-[6-(tert-butylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide
CID 11348280

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide (CID 11437815) is N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide is C=CC(=O)Nc1ccc2ncn(-c3cccc(OC)c3)c2c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is PCOBWTJCRXXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-3-17(21)19-12-7-8-15-16(9-12)20(11-18-15)13-5-4-6-14(10-13)22-2/h3-11H,1H2,2H3,(H,19,21).
What are the key properties of N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide?
N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11437815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).