N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride

C17H17Cl2N3O — CID 146052786

IUPACN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl.Cl
InChIInChI=1S/C17H16ClN3O.ClH/c1-10(2)17(22)21-15-9-11(7-8-12(15)18)16-19-13-5-3-4-6-14(13)20-16;/h3-10H,1-2H3,(H,19,20)(H,21,22);1H
InChIKeyLKTSMZRLKNBDSJ-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.90
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride (PubChem CID 146052786) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
PubChem CID146052786
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl.Cl
InChIInChI=1S/C17H16ClN3O.ClH/c1-10(2)17(22)21-15-9-11(7-8-12(15)18)16-19-13-5-3-4-6-14(13)20-16;/h3-10H,1-2H3,(H,19,20)(H,21,22);1H
InChIKeyLKTSMZRLKNBDSJ-UHFFFAOYSA-N
XLogP4.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
CID 17100751
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2,2-trifluoroacetamide
CID 17334874
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
CID 17116708
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]thiophene-2-carboxamide
CID 6457189
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 2980690
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethylbenzamide
CID 22780202
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 738998
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17104325

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride (CID 146052786) is N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl.Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is LKTSMZRLKNBDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O.ClH/c1-10(2)17(22)21-15-9-11(7-8-12(15)18)16-19-13-5-3-4-6-14(13)20-16;/h3-10H,1-2H3,(H,19,20)(H,21,22);1H.
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride?
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 350.25 g/mol, XLogP of 4.90, 3 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-methylpropanamide;hydrochloride is sourced from PubChem (CID 146052786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).