2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide

C18H20N4O — CID 155531555

IUPAC2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide
SMILESCc1ccccc1N(C)CC(=O)Nc1ccc2ncn(C)c2c1
InChIInChI=1S/C18H20N4O/c1-13-6-4-5-7-16(13)21(2)11-18(23)20-14-8-9-15-17(10-14)22(3)12-19-15/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyDFKCBYDGPVVDCO-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.96
Rot. Bonds4

About 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide

2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide (PubChem CID 155531555) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide
PubChem CID155531555
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide
SMILESCc1ccccc1N(C)CC(=O)Nc1ccc2ncn(C)c2c1
InChIInChI=1S/C18H20N4O/c1-13-6-4-5-7-16(13)21(2)11-18(23)20-14-8-9-15-17(10-14)22(3)12-19-15/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyDFKCBYDGPVVDCO-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Azd-1386
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N-{2-[isopropyl(methyl)amino]-1H-benzimidazol-6-yl}-3-[4-(trifluoromethyl)phenyl]propanamide
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N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
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Frequently Asked Questions

What is the IUPAC name of 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide (CID 155531555) is 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide is Cc1ccccc1N(C)CC(=O)Nc1ccc2ncn(C)c2c1.
What is the InChIKey of 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide?
The InChIKey is DFKCBYDGPVVDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-6-4-5-7-16(13)21(2)11-18(23)20-14-8-9-15-17(10-14)22(3)12-19-15/h4-10,12H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide?
2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide has a molecular weight of 308.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-dimethylanilino)-N-(3-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 155531555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).