2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide

C19H21N3O2 — CID 17033010

IUPAC2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-3-12-20-18(23)13-22-17-7-5-4-6-16(17)21-19(22)14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyBWCPHTJMYFGZOB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.24
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide

2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide (PubChem CID 17033010) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
PubChem CID17033010
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-3-12-20-18(23)13-22-17-7-5-4-6-16(17)21-19(22)14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyBWCPHTJMYFGZOB-UHFFFAOYSA-N
XLogP3.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032912
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032863
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide (CID 17033010) is 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(-c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
The InChIKey is BWCPHTJMYFGZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-12-20-18(23)13-22-17-7-5-4-6-16(17)21-19(22)14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide?
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide has a molecular weight of 323.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 17033010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).