(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide

C19H20N4O2 — CID 139368286

IUPAC(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
SMILESCOCCn1c(Nc2ccccc2/C=C/C(N)=O)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-25-13-12-23-17-9-5-4-8-16(17)22-19(23)21-15-7-3-2-6-14(15)10-11-18(20)24/h2-11H,12-13H2,1H3,(H2,20,24)(H,21,22)/b11-10+
InChIKeyUVJRXUKBMVKXJB-ZHACJKMWSA-N
MW336.40 g/mol
LogP2.92
Rot. Bonds7

About (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide

(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 139368286) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
PubChem CID139368286
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
SMILESCOCCn1c(Nc2ccccc2/C=C/C(N)=O)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-25-13-12-23-17-9-5-4-8-16(17)22-19(23)21-15-7-3-2-6-14(15)10-11-18(20)24/h2-11H,12-13H2,1H3,(H2,20,24)(H,21,22)/b11-10+
InChIKeyUVJRXUKBMVKXJB-ZHACJKMWSA-N
XLogP2.92
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
CID 122514311
(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]methylamino]phenyl]prop-2-enoic acid
CID 122513903
N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide
CID 134459830
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
(2R,3R)-N-[1-(2-methoxyethyl)benzimidazol-2-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586287
(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7043417
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 154795635
(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 8914471
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide (CID 139368286) is (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide is COCCn1c(Nc2ccccc2/C=C/C(N)=O)nc2ccccc21.
What is the InChIKey of (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is UVJRXUKBMVKXJB-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-13-12-23-17-9-5-4-8-16(17)22-19(23)21-15-7-3-2-6-14(15)10-11-18(20)24/h2-11H,12-13H2,1H3,(H2,20,24)(H,21,22)/b11-10+.
What are the key properties of (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide?
(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 336.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 139368286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).