2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide

C20H23N3O — CID 32514079

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cc2ncn(CC(=O)NCCCc3ccccc3)c2cc1C
InChIInChI=1S/C20H23N3O/c1-15-11-18-19(12-16(15)2)23(14-22-18)13-20(24)21-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,14H,6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyHBFVNCPAXKMLHP-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.40
Rot. Bonds6

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide

2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 32514079) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
PubChem CID32514079
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cc2ncn(CC(=O)NCCCc3ccccc3)c2cc1C
InChIInChI=1S/C20H23N3O/c1-15-11-18-19(12-16(15)2)23(14-22-18)13-20(24)21-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,14H,6,9-10,13H2,1-2H3,(H,21,24)
InChIKeyHBFVNCPAXKMLHP-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-(4-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147973
N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147975
2-(6-methylindazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 22509817
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 2100313
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 26058601
2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
CID 18525561

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide (CID 32514079) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide is Cc1cc2ncn(CC(=O)NCCCc3ccccc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is HBFVNCPAXKMLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-11-18-19(12-16(15)2)23(14-22-18)13-20(24)21-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,14H,6,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide?
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 32514079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).