2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide

C14H19N3O — CID 17028490

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1cc2ncn(CC(=O)NC(C)C)c2cc1C
InChIInChI=1S/C14H19N3O/c1-9(2)16-14(18)7-17-8-15-12-5-10(3)11(4)6-13(12)17/h5-6,8-9H,7H2,1-4H3,(H,16,18)
InChIKeyGTUVBNVYTLQNPL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.18
Rot. Bonds3

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide

2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 17028490) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
PubChem CID17028490
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
SMILESCc1cc2ncn(CC(=O)NC(C)C)c2cc1C
InChIInChI=1S/C14H19N3O/c1-9(2)16-14(18)7-17-8-15-12-5-10(3)11(4)6-13(12)17/h5-6,8-9H,7H2,1-4H3,(H,16,18)
InChIKeyGTUVBNVYTLQNPL-UHFFFAOYSA-N
XLogP2.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 51865491
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
2-(7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazol-3-yl)-N-propan-2-ylacetamide
CID 18525451
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 26058601
N-propan-2-yl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028520
(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
CID 51704130
N-(3-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147975
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 32514079
N-(4-carbamothioylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39147973
ethyl 4-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 1147047

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide (CID 17028490) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide is Cc1cc2ncn(CC(=O)NC(C)C)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is GTUVBNVYTLQNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)16-14(18)7-17-8-15-12-5-10(3)11(4)6-13(12)17/h5-6,8-9H,7H2,1-4H3,(H,16,18).
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide?
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 2.18, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 17028490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).