N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide

C14H16N4OS — CID 63563740

IUPACN-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C14H16N4OS/c15-11(20)14(7-3-4-8-14)12(19)18-13-16-9-5-1-2-6-10(9)17-13/h1-2,5-6H,3-4,7-8H2,(H2,15,20)(H2,16,17,18,19)
InChIKeyYPKQLQMCRWUCIJ-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.35
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide

N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide (PubChem CID 63563740) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
PubChem CID63563740
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2nc3ccccc3[nH]2)CCCC1
InChIInChI=1S/C14H16N4OS/c15-11(20)14(7-3-4-8-14)12(19)18-13-16-9-5-1-2-6-10(9)17-13/h1-2,5-6H,3-4,7-8H2,(H2,15,20)(H2,16,17,18,19)
InChIKeyYPKQLQMCRWUCIJ-UHFFFAOYSA-N
XLogP2.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 63562778
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CID 106980681
N-(1H-benzimidazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975213
N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
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CID 8849903
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
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N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide (CID 63563740) is N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide is NC(=S)C1(C(=O)Nc2nc3ccccc3[nH]2)CCCC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide?
The InChIKey is YPKQLQMCRWUCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-11(20)14(7-3-4-8-14)12(19)18-13-16-9-5-1-2-6-10(9)17-13/h1-2,5-6H,3-4,7-8H2,(H2,15,20)(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide is sourced from PubChem (CID 63563740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).