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

C14H20N4O — CID 60853212

IUPAC2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-4-9(2)15-8-14(19)18-11-5-6-12-13(7-11)17-10(3)16-12/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVACPTSHSWGXAEM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.20
Rot. Bonds5

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

2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 60853212) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID60853212
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-4-9(2)15-8-14(19)18-11-5-6-12-13(7-11)17-10(3)16-12/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyVACPTSHSWGXAEM-UHFFFAOYSA-N
XLogP2.20
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.20
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
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 43700582
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 60853212) is 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is CCC(C)NCC(=O)Nc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is VACPTSHSWGXAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-9(2)15-8-14(19)18-11-5-6-12-13(7-11)17-10(3)16-12/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide?
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 60853212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).