2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

C16H16N4O — CID 60860935

IUPAC2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CNc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-11-18-14-8-7-13(9-15(14)19-11)20-16(21)10-17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeySFOPNLDCQHMCCA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.92
Rot. Bonds4

About 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide

2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 60860935) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID60860935
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(NC(=O)CNc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-11-18-14-8-7-13(9-15(14)19-11)20-16(21)10-17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeySFOPNLDCQHMCCA-UHFFFAOYSA-N
XLogP2.92
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 6499887
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183
N-(2-methyl-3H-benzimidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 6472025
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 60860935) is 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(NC(=O)CNc3ccccc3)cc2[nH]1.
What is the InChIKey of 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is SFOPNLDCQHMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-18-14-8-7-13(9-15(14)19-11)20-16(21)10-17-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 60860935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).