N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

C24H22ClN3O2 — CID 30308671

IUPACN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22ClN3O2/c1-15-18(22-26-20-8-4-5-9-21(20)27-22)7-6-10-19(15)28-23(29)24(2,3)30-17-13-11-16(25)12-14-17/h4-14H,1-3H3,(H,26,27)(H,28,29)
InChIKeyFIRDPMCFTCOJGU-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.99
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 30308671) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID30308671
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H22ClN3O2/c1-15-18(22-26-20-8-4-5-9-21(20)27-22)7-6-10-19(15)28-23(29)24(2,3)30-17-13-11-16(25)12-14-17/h4-14H,1-3H3,(H,26,27)(H,28,29)
InChIKeyFIRDPMCFTCOJGU-UHFFFAOYSA-N
XLogP5.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30308665
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 2980690
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 738998
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methyl-2-phenoxypropanamide
CID 30308683
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
2-(4-chlorophenoxy)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 5085201
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-2-pyridinyl)propanamide
CID 800401
2-[[3-(1H-benzimidazol-2-yl)-2-methylanilino]methylidene]propanedinitrile
CID 168544141
2-methyl-N-(2-methylquinolin-5-yl)-2-phenoxypropanamide
CID 30308944
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 30308671) is N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide is Cc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is FIRDPMCFTCOJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-15-18(22-26-20-8-4-5-9-21(20)27-22)7-6-10-19(15)28-23(29)24(2,3)30-17-13-11-16(25)12-14-17/h4-14H,1-3H3,(H,26,27)(H,28,29).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 419.91 g/mol, XLogP of 5.99, 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-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 30308671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).