N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

C24H28N6O3S — CID 25339222

IUPACN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C24H28N6O3S/c1-3-13-30-22-9-8-20(34(25,32)33)15-21(22)28-23(30)10-11-24(31)27-17(2)18-4-6-19(7-5-18)29-14-12-26-16-29/h4-9,12,14-17H,3,10-11,13H2,1-2H3,(H,27,31)(H2,25,32,33)/t17-/m0/s1
InChIKeyDMBLRPYBDXNMNC-KRWDZBQOSA-N
MW480.59 g/mol
LogP3.09
Rot. Bonds9

About N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (PubChem CID 25339222) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
PubChem CID25339222
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C24H28N6O3S/c1-3-13-30-22-9-8-20(34(25,32)33)15-21(22)28-23(30)10-11-24(31)27-17(2)18-4-6-19(7-5-18)29-14-12-26-16-29/h4-9,12,14-17H,3,10-11,13H2,1-2H3,(H,27,31)(H2,25,32,33)/t17-/m0/s1
InChIKeyDMBLRPYBDXNMNC-KRWDZBQOSA-N
XLogP3.09
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 40795400
N-(1-phenylethyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24539843
N-(2-methylpropyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24537181
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24545524
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 32648596
N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24547672
N-naphthalen-2-yl-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536273
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 42987416
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351
N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24569101
2-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide
CID 46529218
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (CID 25339222) is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The InChIKey is DMBLRPYBDXNMNC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-3-13-30-22-9-8-20(34(25,32)33)15-21(22)28-23(30)10-11-24(31)27-17(2)18-4-6-19(7-5-18)29-14-12-26-16-29/h4-9,12,14-17H,3,10-11,13H2,1-2H3,(H,27,31)(H2,25,32,33)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide has a molecular weight of 480.59 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 25339222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).