2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide

C24H29N3O — CID 16974740

IUPAC2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C24H29N3O/c1-3-20(4-2)24(28)25-17-16-23-26-21-14-8-9-15-22(21)27(23)18-10-13-19-11-6-5-7-12-19/h5-15,20H,3-4,16-18H2,1-2H3,(H,25,28)/b13-10+
InChIKeyPVVHQHHOWCERDU-JLHYYAGUSA-N
MW375.52 g/mol
LogP4.84
Rot. Bonds9

About 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide

2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16974740) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16974740
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C24H29N3O/c1-3-20(4-2)24(28)25-17-16-23-26-21-14-8-9-15-22(21)27(23)18-10-13-19-11-6-5-7-12-19/h5-15,20H,3-4,16-18H2,1-2H3,(H,25,28)/b13-10+
InChIKeyPVVHQHHOWCERDU-JLHYYAGUSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16980700
2-methyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]benzamide
CID 16982389
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988182
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
(E)-3-phenyl-N-[5-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992718
N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974719
3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16986040
2-phenoxy-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]acetamide
CID 16986259
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide (CID 16974740) is 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide is CCC(CC)C(=O)NCCc1nc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is PVVHQHHOWCERDU-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H29N3O/c1-3-20(4-2)24(28)25-17-16-23-26-21-14-8-9-15-22(21)27(23)18-10-13-19-11-6-5-7-12-19/h5-15,20H,3-4,16-18H2,1-2H3,(H,25,28)/b13-10+.
What are the key properties of 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide?
2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 375.52 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16974740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).