N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide

C20H23ClN4O — CID 72936130

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1)N(C)C
InChIInChI=1S/C20H23ClN4O/c1-13-7-5-6-8-15(13)19(24(2)3)20(26)25(4)12-18-22-16-10-9-14(21)11-17(16)23-18/h5-11,19H,12H2,1-4H3,(H,22,23)
InChIKeyMHKCOVKXIQOLFH-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.79
Rot. Bonds5

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

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide (PubChem CID 72936130) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
PubChem CID72936130
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1)N(C)C
InChIInChI=1S/C20H23ClN4O/c1-13-7-5-6-8-15(13)19(24(2)3)20(26)25(4)12-18-22-16-10-9-14(21)11-17(16)23-18/h5-11,19H,12H2,1-4H3,(H,22,23)
InChIKeyMHKCOVKXIQOLFH-UHFFFAOYSA-N
XLogP3.79
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide (CID 72936130) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1)N(C)C.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide?
The InChIKey is MHKCOVKXIQOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-13-7-5-6-8-15(13)19(24(2)3)20(26)25(4)12-18-22-16-10-9-14(21)11-17(16)23-18/h5-11,19H,12H2,1-4H3,(H,22,23).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide has a molecular weight of 370.88 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 72936130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).