N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide

C21H22N4O2 — CID 55812701

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide
SMILESCCC(C)C(NC(=O)Cc1noc2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22N4O2/c1-3-13(2)20(21-22-15-9-5-6-10-16(15)23-21)24-19(26)12-17-14-8-4-7-11-18(14)27-25-17/h4-11,13,20H,3,12H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyGTGUMYZBYKGVHV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.15
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide (PubChem CID 55812701) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide
PubChem CID55812701
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide
SMILESCCC(C)C(NC(=O)Cc1noc2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H22N4O2/c1-3-13(2)20(21-22-15-9-5-6-10-16(15)23-21)24-19(26)12-17-14-8-4-7-11-18(14)27-25-17/h4-11,13,20H,3,12H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyGTGUMYZBYKGVHV-UHFFFAOYSA-N
XLogP4.15
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552652
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94613997
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-morpholin-4-ylacetamide
CID 97341345
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(cyanomethylsulfanyl)acetamide
CID 94613958
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
CID 55862665
ethyl N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-oxopropyl]carbamate
CID 51087826
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9115115
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55814528

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide (CID 55812701) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide is CCC(C)C(NC(=O)Cc1noc2ccccc12)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The InChIKey is GTGUMYZBYKGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-13(2)20(21-22-15-9-5-6-10-16(15)23-21)24-19(26)12-17-14-8-4-7-11-18(14)27-25-17/h4-11,13,20H,3,12H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 55812701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).