N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide

C15H20N4O2 — CID 60565943

IUPACN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)8-12(20)16-9-13(21)19-14-17-10-6-4-5-7-11(10)18-14/h4-7H,8-9H2,1-3H3,(H,16,20)(H2,17,18,19,21)
InChIKeyQQMVNYCXFJMTKQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 60565943) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID60565943
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)8-12(20)16-9-13(21)19-14-17-10-6-4-5-7-11(10)18-14/h4-7H,8-9H2,1-3H3,(H,16,20)(H2,17,18,19,21)
InChIKeyQQMVNYCXFJMTKQ-UHFFFAOYSA-N
XLogP2.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
CID 9111149
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 166217161
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
CID 4659981
N-(1H-benzimidazol-2-yl)-3-methylhexanamide
CID 75418801

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide (CID 60565943) is N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is QQMVNYCXFJMTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)8-12(20)16-9-13(21)19-14-17-10-6-4-5-7-11(10)18-14/h4-7H,8-9H2,1-3H3,(H,16,20)(H2,17,18,19,21).
What are the key properties of N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 288.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 60565943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).