N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

C23H28N6O3S — CID 42150528

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NCCCc2nc3ccccc3[nH]2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H28N6O3S/c1-2-14-29-20-10-9-16(33(24,31)32)15-19(20)28-22(29)11-12-23(30)25-13-5-8-21-26-17-6-3-4-7-18(17)27-21/h3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3,(H,25,30)(H,26,27)(H2,24,31,32)
InChIKeyBWTYKIWSVRACAW-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.65
Rot. Bonds10

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (PubChem CID 42150528) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
PubChem CID42150528
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NCCCc2nc3ccccc3[nH]2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H28N6O3S/c1-2-14-29-20-10-9-16(33(24,31)32)15-19(20)28-22(29)11-12-23(30)25-13-5-8-21-26-17-6-3-4-7-18(17)27-21/h3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3,(H,25,30)(H,26,27)(H2,24,31,32)
InChIKeyBWTYKIWSVRACAW-UHFFFAOYSA-N
XLogP2.65
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24550068
N-(2-methylpropyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24537181
N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536339
N-naphthalen-2-yl-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536273
N-(1-phenylethyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24539843
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 32648596
2-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide
CID 46529218
N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24569101
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 52719532
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (CID 42150528) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)NCCCc2nc3ccccc3[nH]2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The InChIKey is BWTYKIWSVRACAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-2-14-29-20-10-9-16(33(24,31)32)15-19(20)28-22(29)11-12-23(30)25-13-5-8-21-26-17-6-3-4-7-18(17)27-21/h3-4,6-7,9-10,15H,2,5,8,11-14H2,1H3,(H,25,30)(H,26,27)(H2,24,31,32).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide has a molecular weight of 468.58 g/mol, XLogP of 2.65, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 42150528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).