N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide

C19H17Cl2N3O — CID 16972380

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-12(2)19(25)22-10-18-23-16-8-3-4-9-17(16)24(18)11-13-14(20)6-5-7-15(13)21/h3-9H,1,10-11H2,2H3,(H,22,25)
InChIKeyUEWDZJGSKQDIJE-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.58
Rot. Bonds5

About N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide

N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide (PubChem CID 16972380) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
PubChem CID16972380
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C19H17Cl2N3O/c1-12(2)19(25)22-10-18-23-16-8-3-4-9-17(16)24(18)11-13-14(20)6-5-7-15(13)21/h3-9H,1,10-11H2,2H3,(H,22,25)
InChIKeyUEWDZJGSKQDIJE-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.58
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

N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970127
2-methyl-N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 16972359
N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974719
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980824
N-[(1-dodecylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972370
N-[(1-heptylbenzimidazol-2-yl)methyl]-2-methylprop-2-enamide
CID 16972365
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974006
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988485
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980393
3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2992677

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide (CID 16972380) is N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide?
The InChIKey is UEWDZJGSKQDIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-12(2)19(25)22-10-18-23-16-8-3-4-9-17(16)24(18)11-13-14(20)6-5-7-15(13)21/h3-9H,1,10-11H2,2H3,(H,22,25).
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide?
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide has a molecular weight of 374.27 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 16972380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).