N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide

C21H21N5O3S — CID 119099381

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide
SMILESCn1c(CCNC(=O)c2cccc(-n3ccnc3S(C)(=O)=O)c2)nc2ccccc21
InChIInChI=1S/C21H21N5O3S/c1-25-18-9-4-3-8-17(18)24-19(25)10-11-22-20(27)15-6-5-7-16(14-15)26-13-12-23-21(26)30(2,28)29/h3-9,12-14H,10-11H2,1-2H3,(H,22,27)
InChIKeyYDIVMDDMHZMEFZ-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide (PubChem CID 119099381) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide
PubChem CID119099381
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide
SMILESCn1c(CCNC(=O)c2cccc(-n3ccnc3S(C)(=O)=O)c2)nc2ccccc21
InChIInChI=1S/C21H21N5O3S/c1-25-18-9-4-3-8-17(18)24-19(25)10-11-22-20(27)15-6-5-7-16(14-15)26-13-12-23-21(26)30(2,28)29/h3-9,12-14H,10-11H2,1-2H3,(H,22,27)
InChIKeyYDIVMDDMHZMEFZ-UHFFFAOYSA-N
XLogP2.13
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
3-chloro-N-[2-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977948
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
3-chloro-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977960
3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide (CID 119099381) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide is Cn1c(CCNC(=O)c2cccc(-n3ccnc3S(C)(=O)=O)c2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide?
The InChIKey is YDIVMDDMHZMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-25-18-9-4-3-8-17(18)24-19(25)10-11-22-20(27)15-6-5-7-16(14-15)26-13-12-23-21(26)30(2,28)29/h3-9,12-14H,10-11H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide has a molecular weight of 423.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide is sourced from PubChem (CID 119099381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).