(E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide

C24H29N3O — CID 16980063

IUPAC(E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C24H29N3O/c1-6-9-24(28)25-13-12-23-26-21-10-7-8-11-22(21)27(23)15-20-18(4)16(2)14-17(3)19(20)5/h6-11,14H,12-13,15H2,1-5H3,(H,25,28)/b9-6+
InChIKeySIIGLBQJTYWOGE-RMKNXTFCSA-N
MW375.52 g/mol
LogP4.55
Rot. Bonds6

About (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide

(E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide (PubChem CID 16980063) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide
PubChem CID16980063
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name(E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C24H29N3O/c1-6-9-24(28)25-13-12-23-26-21-10-7-8-11-22(21)27(23)15-20-18(4)16(2)14-17(3)19(20)5/h6-11,14H,12-13,15H2,1-5H3,(H,25,28)/b9-6+
InChIKeySIIGLBQJTYWOGE-RMKNXTFCSA-N
XLogP4.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 18888947
(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide
CID 40699037
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208
(E)-N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980141
(E)-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980168
(E)-N-[5-(1-benzylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992042
3-phenyl-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]propanamide
CID 16986017
(E)-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]but-2-enamide
CID 16992021
2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985855
(E)-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888926
(Z)-N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]but-2-enamide
CID 16987027
(E)-N-[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980185

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide (CID 16980063) is (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide is C/C=C/C(=O)NCCc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C.
What is the InChIKey of (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide?
The InChIKey is SIIGLBQJTYWOGE-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H29N3O/c1-6-9-24(28)25-13-12-23-26-21-10-7-8-11-22(21)27(23)15-20-18(4)16(2)14-17(3)19(20)5/h6-11,14H,12-13,15H2,1-5H3,(H,25,28)/b9-6+.
What are the key properties of (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide?
(E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide has a molecular weight of 375.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]but-2-enamide is sourced from PubChem (CID 16980063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).