N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide

C21H20N4OS — CID 8849903

IUPACN-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C21H20N4OS/c26-19(25-20-23-14-7-1-2-8-15(14)24-20)21(11-5-6-12-21)13-18-22-16-9-3-4-10-17(16)27-18/h1-4,7-10H,5-6,11-13H2,(H2,23,24,25,26)
InChIKeyRBMNMOFPMLWISO-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.91
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide

N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 8849903) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID8849903
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C21H20N4OS/c26-19(25-20-23-14-7-1-2-8-15(14)24-20)21(11-5-6-12-21)13-18-22-16-9-3-4-10-17(16)27-18/h1-4,7-10H,5-6,11-13H2,(H2,23,24,25,26)
InChIKeyRBMNMOFPMLWISO-UHFFFAOYSA-N
XLogP4.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 9319098
1-(1,3-benzothiazol-2-ylmethyl)-N-(tetrazolidin-5-yl)cyclopentane-1-carboxamide
CID 134063872
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
1-(1,3-benzothiazol-2-ylmethyl)-N-butylcyclopentane-1-carboxamide
CID 43021084
1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 71885629
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63562778
3-(1,3-benzothiazol-2-ylmethyl)-1,1-dioxothiolane-3-carboxylic acid
CID 104632352
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43016841
1-(aminomethyl)-N-(1,3-benzothiazol-2-yl)cycloheptane-1-carboxamide
CID 115443740
[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-(4-phenylpiperazin-1-yl)methanone
CID 39954191

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide (CID 8849903) is N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1(Cc2nc3ccccc3s2)CCCC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is RBMNMOFPMLWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c26-19(25-20-23-14-7-1-2-8-15(14)24-20)21(11-5-6-12-21)13-18-22-16-9-3-4-10-17(16)27-18/h1-4,7-10H,5-6,11-13H2,(H2,23,24,25,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 8849903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).