N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide

C18H18ClN3O — CID 17100751

IUPACN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl
InChIInChI=1S/C18H18ClN3O/c1-18(2,3)17(23)22-15-10-11(8-9-12(15)19)16-20-13-6-4-5-7-14(13)21-16/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyWCPMDJXSVCNXPB-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.87
Rot. Bonds2

About N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide (PubChem CID 17100751) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
PubChem CID17100751
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl
InChIInChI=1S/C18H18ClN3O/c1-18(2,3)17(23)22-15-10-11(8-9-12(15)19)16-20-13-6-4-5-7-14(13)21-16/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyWCPMDJXSVCNXPB-UHFFFAOYSA-N
XLogP4.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2,2-trifluoroacetamide
CID 17334874
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 2980690
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 146052786
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
CID 6457189
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
CID 17116708
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
[4-(1H-benzimidazol-2-yl)-2-chlorophenyl] 2,2-dimethylpropanoate
CID 10268363
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17104325
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethylbenzamide
CID 22780202
(E)-N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17116712
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide (CID 17100751) is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide?
The InChIKey is WCPMDJXSVCNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-18(2,3)17(23)22-15-10-11(8-9-12(15)19)16-20-13-6-4-5-7-14(13)21-16/h4-10H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide?
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide has a molecular weight of 327.81 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17100751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).