2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide

C18H18ClN3O2 — CID 30158519

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
SMILESCc1ccc2nc(CNC(=O)COc3ccc(Cl)cc3C)[nH]c2c1
InChIInChI=1S/C18H18ClN3O2/c1-11-3-5-14-15(7-11)22-17(21-14)9-20-18(23)10-24-16-6-4-13(19)8-12(16)2/h3-8H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBTLMQQUTOATEGY-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide (PubChem CID 30158519) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
PubChem CID30158519
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
SMILESCc1ccc2nc(CNC(=O)COc3ccc(Cl)cc3C)[nH]c2c1
InChIInChI=1S/C18H18ClN3O2/c1-11-3-5-14-15(7-11)22-17(21-14)9-20-18(23)10-24-16-6-4-13(19)8-12(16)2/h3-8H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBTLMQQUTOATEGY-UHFFFAOYSA-N
XLogP3.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 113236436
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 54785534
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide (CID 30158519) is 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide is Cc1ccc2nc(CNC(=O)COc3ccc(Cl)cc3C)[nH]c2c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide?
The InChIKey is BTLMQQUTOATEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-3-5-14-15(7-11)22-17(21-14)9-20-18(23)10-24-16-6-4-13(19)8-12(16)2/h3-8H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide has a molecular weight of 343.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 30158519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).