(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide

C24H30N4O3 — CID 18209237

IUPAC(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCCN(CC)CCn1c(NC(=O)/C=C/c2cc(OC)cc(OC)c2)nc2ccccc21
InChIInChI=1S/C24H30N4O3/c1-5-27(6-2)13-14-28-22-10-8-7-9-21(22)25-24(28)26-23(29)12-11-18-15-19(30-3)17-20(16-18)31-4/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,25,26,29)/b12-11+
InChIKeyYUFBXINXQRJZOO-VAWYXSNFSA-N
MW422.53 g/mol
LogP4.05
Rot. Bonds10

About (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide

(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 18209237) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID18209237
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCCN(CC)CCn1c(NC(=O)/C=C/c2cc(OC)cc(OC)c2)nc2ccccc21
InChIInChI=1S/C24H30N4O3/c1-5-27(6-2)13-14-28-22-10-8-7-9-21(22)25-24(28)26-23(29)12-11-18-15-19(30-3)17-20(16-18)31-4/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,25,26,29)/b12-11+
InChIKeyYUFBXINXQRJZOO-VAWYXSNFSA-N
XLogP4.05
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide (CID 18209237) is (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide is CCN(CC)CCn1c(NC(=O)/C=C/c2cc(OC)cc(OC)c2)nc2ccccc21.
What is the InChIKey of (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is YUFBXINXQRJZOO-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-5-27(6-2)13-14-28-22-10-8-7-9-21(22)25-24(28)26-23(29)12-11-18-15-19(30-3)17-20(16-18)31-4/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,25,26,29)/b12-11+.
What are the key properties of (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 422.53 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 18209237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).