2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide

C25H29N3O3 — CID 16994134

IUPAC2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
SMILESC#CCn1c(CCCCCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C25H29N3O3/c1-4-16-28-21-11-8-7-10-20(21)27-24(28)12-6-5-9-15-26-25(29)18-19-13-14-22(30-2)23(17-19)31-3/h1,7-8,10-11,13-14,17H,5-6,9,12,15-16,18H2,2-3H3,(H,26,29)
InChIKeyRLOPPOREFLLARH-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.76
Rot. Bonds11

About 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 16994134) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID16994134
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
SMILESC#CCn1c(CCCCCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C25H29N3O3/c1-4-16-28-21-11-8-7-10-20(21)27-24(28)12-6-5-9-15-26-25(29)18-19-13-14-22(30-2)23(17-19)31-3/h1,7-8,10-11,13-14,17H,5-6,9,12,15-16,18H2,2-3H3,(H,26,29)
InChIKeyRLOPPOREFLLARH-UHFFFAOYSA-N
XLogP3.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide
CID 16993972
2-(3,4-dimethoxyphenyl)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16994142
2-(3,4-dimethoxyphenyl)-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994266
2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16985669
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994215
2-(3,4-dimethoxyphenyl)-N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994273
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16985698
2-(3,4-dimethoxyphenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994201
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994166
2-(3,4-dimethoxyphenyl)-N-[5-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994234
2-(3,4-dimethoxyphenyl)-N-[3-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985694

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide (CID 16994134) is 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide is C#CCn1c(CCCCCNC(=O)Cc2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is RLOPPOREFLLARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-16-28-21-11-8-7-10-20(21)27-24(28)12-6-5-9-15-26-25(29)18-19-13-14-22(30-2)23(17-19)31-3/h1,7-8,10-11,13-14,17H,5-6,9,12,15-16,18H2,2-3H3,(H,26,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.76, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 16994134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).