N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide

C20H23N3O2 — CID 39951309

IUPACN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1
InChIInChI=1S/C20H23N3O2/c1-20(2,3)19-22-16-9-8-14(12-17(16)23-19)21-18(24)11-13-6-5-7-15(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyCOSQTXYPWQIQTO-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.05
Rot. Bonds4

About N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide

N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 39951309) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID39951309
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1
InChIInChI=1S/C20H23N3O2/c1-20(2,3)19-22-16-9-8-14(12-17(16)23-19)21-18(24)11-13-6-5-7-15(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyCOSQTXYPWQIQTO-UHFFFAOYSA-N
XLogP4.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 55832516
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
CID 61274236
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 51044165
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide (CID 39951309) is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1.
What is the InChIKey of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is COSQTXYPWQIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2,3)19-22-16-9-8-14(12-17(16)23-19)21-18(24)11-13-6-5-7-15(10-13)25-4/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide?
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 39951309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).