N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide

C24H23N3O2 — CID 30308665

IUPACN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
SMILESCc1c(NC(=O)C(C)(C)Oc2ccccc2)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23N3O2/c1-16-18(22-25-20-13-7-8-14-21(20)26-22)12-9-15-19(16)27-23(28)24(2,3)29-17-10-5-4-6-11-17/h4-15H,1-3H3,(H,25,26)(H,27,28)
InChIKeyIUSQOYWIEKBCMN-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.33
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide

N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308665) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
PubChem CID30308665
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
SMILESCc1c(NC(=O)C(C)(C)Oc2ccccc2)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23N3O2/c1-16-18(22-25-20-13-7-8-14-21(20)26-22)12-9-15-19(16)27-23(28)24(2,3)29-17-10-5-4-6-11-17/h4-15H,1-3H3,(H,25,26)(H,27,28)
InChIKeyIUSQOYWIEKBCMN-UHFFFAOYSA-N
XLogP5.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 30308671
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30308683
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 738998
2-methyl-N-(2-methylquinolin-5-yl)-2-phenoxypropanamide
CID 30308944
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 2980690
2-methyl-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 30308461
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
2-[[3-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]propanedinitrile
CID 168544141
2-[[3-(1H-benzimidazol-2-yl)-2-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340538
N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112809550
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 5159784

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide (CID 30308665) is N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide is Cc1c(NC(=O)C(C)(C)Oc2ccccc2)cccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide?
The InChIKey is IUSQOYWIEKBCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-18(22-25-20-13-7-8-14-21(20)26-22)12-9-15-19(16)27-23(28)24(2,3)29-17-10-5-4-6-11-17/h4-15H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide?
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide has a molecular weight of 385.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).