N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide

C22H24BrN3O3 — CID 16972830

IUPACN-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESC=C(Br)Cn1c(C(C)NC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C22H24BrN3O3/c1-14(23)13-26-18-8-6-5-7-17(18)25-22(26)15(2)24-21(27)12-16-9-10-19(28-3)20(11-16)29-4/h5-11,15H,1,12-13H2,2-4H3,(H,24,27)
InChIKeyILGUKXIXGZGRDV-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.38
Rot. Bonds8

About N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 16972830) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID16972830
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC NameN-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESC=C(Br)Cn1c(C(C)NC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C22H24BrN3O3/c1-14(23)13-26-18-8-6-5-7-17(18)25-22(26)15(2)24-21(27)12-16-9-10-19(28-3)20(11-16)29-4/h5-11,15H,1,12-13H2,2-4H3,(H,24,27)
InChIKeyILGUKXIXGZGRDV-UHFFFAOYSA-N
XLogP4.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 17009932
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972964
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972963
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971556
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972885
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972884
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972911
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972903
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972907
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972514
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972820

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 16972830) is N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide is C=C(Br)Cn1c(C(C)NC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ILGUKXIXGZGRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-14(23)13-26-18-8-6-5-7-17(18)25-22(26)15(2)24-21(27)12-16-9-10-19(28-3)20(11-16)29-4/h5-11,15H,1,12-13H2,2-4H3,(H,24,27).
What are the key properties of N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 458.36 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 16972830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).