N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide

C20H20N4O3S — CID 17438166

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H20N4O3S/c1-2-13-22-28(26,27)16-11-9-15(10-12-16)20(25)21-14-5-8-19-23-17-6-3-4-7-18(17)24-19/h1,3-4,6-7,9-12,22H,5,8,13-14H2,(H,21,25)(H,23,24)
InChIKeyHYZRAAJXEDRYKC-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.84
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 17438166) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID17438166
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H20N4O3S/c1-2-13-22-28(26,27)16-11-9-15(10-12-16)20(25)21-14-5-8-19-23-17-6-3-4-7-18(17)24-19/h1,3-4,6-7,9-12,22H,5,8,13-14H2,(H,21,25)(H,23,24)
InChIKeyHYZRAAJXEDRYKC-UHFFFAOYSA-N
XLogP1.84
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
CID 30359896
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55488977
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69192060
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 17438166) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is HYZRAAJXEDRYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-13-22-28(26,27)16-11-9-15(10-12-16)20(25)21-14-5-8-19-23-17-6-3-4-7-18(17)24-19/h1,3-4,6-7,9-12,22H,5,8,13-14H2,(H,21,25)(H,23,24).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 17438166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).