(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide

C21H23N3O — CID 16970750

IUPAC(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
SMILESCC(C)Cn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-16(2)15-24-19-11-7-6-10-18(19)23-20(24)14-22-21(25)13-12-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,22,25)/b13-12-
InChIKeyXOSMTCCIPXGAMU-SEYXRHQNSA-N
MW333.44 g/mol
LogP4.02
Rot. Bonds6

About (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide

(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 16970750) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
PubChem CID16970750
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
SMILESCC(C)Cn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O/c1-16(2)15-24-19-11-7-6-10-18(19)23-20(24)14-22-21(25)13-12-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,22,25)/b13-12-
InChIKeyXOSMTCCIPXGAMU-SEYXRHQNSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.02
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

(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
(Z)-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970879
(Z)-N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970891
(Z)-N-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970787
(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970769
(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970778
(E)-N-[2-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18888810
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]acetamide
CID 3995612
(E)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18889027
(Z)-N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970846
(Z)-N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970870

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide (CID 16970750) is (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide is CC(C)Cn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21.
What is the InChIKey of (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is XOSMTCCIPXGAMU-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16(2)15-24-19-11-7-6-10-18(19)23-20(24)14-22-21(25)13-12-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,22,25)/b13-12-.
What are the key properties of (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide?
(Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 333.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16970750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).