N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide

C13H10N4O2S — CID 110522943

IUPACN-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(N/N=C\c1ccco1)c1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C13H10N4O2S/c18-12(17-14-7-9-2-1-5-19-9)8-3-4-10-11(6-8)16-13(20)15-10/h1-7H,(H,17,18)(H2,15,16,20)/b14-7-
InChIKeyFSGQXSLWOPOCQS-AUWJEWJLSA-N
MW286.32 g/mol
LogP2.58
Rot. Bonds3

About N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide

N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110522943) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110522943
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(N/N=C\c1ccco1)c1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C13H10N4O2S/c18-12(17-14-7-9-2-1-5-19-9)8-3-4-10-11(6-8)16-13(20)15-10/h1-7H,(H,17,18)(H2,15,16,20)/b14-7-
InChIKeyFSGQXSLWOPOCQS-AUWJEWJLSA-N
XLogP2.58
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538210
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(Z)-pyridin-4-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522961
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-[(Z)-(3-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522965
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
2-sulfanylidene-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522957
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 768290
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide (CID 110522943) is N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide is O=C(N/N=C\c1ccco1)c1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is FSGQXSLWOPOCQS-AUWJEWJLSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-12(17-14-7-9-2-1-5-19-9)8-3-4-10-11(6-8)16-13(20)15-10/h1-7H,(H,17,18)(H2,15,16,20)/b14-7-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide?
N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110522943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).