N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C16H17N3O3S — CID 131925459

IUPACN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)Nc2ccc3nc(C(C)O)[nH]c3c2)o1
InChIInChI=1S/C16H17N3O3S/c1-9(20)15-18-12-5-3-10(7-13(12)19-15)17-16(21)14-6-4-11(22-14)8-23-2/h3-7,9,20H,8H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyZZGPRMSLEMOKIG-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 131925459) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID131925459
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)Nc2ccc3nc(C(C)O)[nH]c3c2)o1
InChIInChI=1S/C16H17N3O3S/c1-9(20)15-18-12-5-3-10(7-13(12)19-15)17-16(21)14-6-4-11(22-14)8-23-2/h3-7,9,20H,8H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyZZGPRMSLEMOKIG-UHFFFAOYSA-N
XLogP3.32
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131943885
2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595
2-(1,3-benzodioxol-5-yl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131936069
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131930910
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-piperidin-4-ylacetamide
CID 131891746
N-(3-hydroxy-2-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113372208
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 131925459) is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)Nc2ccc3nc(C(C)O)[nH]c3c2)o1.
What is the InChIKey of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is ZZGPRMSLEMOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9(20)15-18-12-5-3-10(7-13(12)19-15)17-16(21)14-6-4-11(22-14)8-23-2/h3-7,9,20H,8H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131925459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).