(E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide

C19H28N4O2 — CID 146076773

IUPAC(E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide
SMILESCOCCn1c(CCN(C)C(=O)/C=C/CN(C)C)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-21(2)12-7-10-19(24)22(3)13-11-18-20-16-8-5-6-9-17(16)23(18)14-15-25-4/h5-10H,11-15H2,1-4H3/b10-7+
InChIKeyCPKXPMQOKSLQBY-JXMROGBWSA-N
MW344.46 g/mol
LogP1.80
Rot. Bonds9

About (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide

(E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide (PubChem CID 146076773) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide
PubChem CID146076773
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide
SMILESCOCCn1c(CCN(C)C(=O)/C=C/CN(C)C)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-21(2)12-7-10-19(24)22(3)13-11-18-20-16-8-5-6-9-17(16)23(18)14-15-25-4/h5-10H,11-15H2,1-4H3/b10-7+
InChIKeyCPKXPMQOKSLQBY-JXMROGBWSA-N
XLogP1.80
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988910
(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]methylamino]phenyl]prop-2-enoic acid
CID 122513903
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide (CID 146076773) is (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide is COCCn1c(CCN(C)C(=O)/C=C/CN(C)C)nc2ccccc21.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide?
The InChIKey is CPKXPMQOKSLQBY-JXMROGBWSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21(2)12-7-10-19(24)22(3)13-11-18-20-16-8-5-6-9-17(16)23(18)14-15-25-4/h5-10H,11-15H2,1-4H3/b10-7+.
What are the key properties of (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide?
(E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide has a molecular weight of 344.46 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-N-methylbut-2-enamide is sourced from PubChem (CID 146076773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).