2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide

C24H27N3O2 — CID 16993972

IUPAC2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
SMILESC#CCn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C24H27N3O2/c1-3-17-27-22-10-7-6-9-21(22)26-23(27)11-5-4-8-16-25-24(28)18-19-12-14-20(29-2)15-13-19/h1,6-7,9-10,12-15H,4-5,8,11,16-18H2,2H3,(H,25,28)
InChIKeyMTEVWJKHIBYDBW-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.75
Rot. Bonds10

About 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide

2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 16993972) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID16993972
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
SMILESC#CCn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C24H27N3O2/c1-3-17-27-22-10-7-6-9-21(22)26-23(27)11-5-4-8-16-25-24(28)18-19-12-14-20(29-2)15-13-19/h1,6-7,9-10,12-15H,4-5,8,11,16-18H2,2H3,(H,25,28)
InChIKeyMTEVWJKHIBYDBW-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
CID 16994134
N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16993993
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327
2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993974
2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993390
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985536
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060
N-[5-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994101
2-(4-methoxyphenyl)-N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16985650

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide (CID 16993972) is 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide is C#CCn1c(CCCCCNC(=O)Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is MTEVWJKHIBYDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-17-27-22-10-7-6-9-21(22)26-23(27)11-5-4-8-16-25-24(28)18-19-12-14-20(29-2)15-13-19/h1,6-7,9-10,12-15H,4-5,8,11,16-18H2,2H3,(H,25,28).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 16993972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).