2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C19H16N4O2S — CID 656134

IUPAC2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1
InChIInChI=1S/C19H16N4O2S/c24-17(21-11-13-5-4-10-25-13)12-26-19-14(6-3-9-20-19)18-22-15-7-1-2-8-16(15)23-18/h1-10H,11-12H2,(H,21,24)(H,22,23)
InChIKeyVCKBPCVHHMGDQE-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.63
Rot. Bonds6

About 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 656134) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID656134
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1
InChIInChI=1S/C19H16N4O2S/c24-17(21-11-13-5-4-10-25-13)12-26-19-14(6-3-9-20-19)18-22-15-7-1-2-8-16(15)23-18/h1-10H,11-12H2,(H,21,24)(H,22,23)
InChIKeyVCKBPCVHHMGDQE-UHFFFAOYSA-N
XLogP3.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436763
2-(furan-2-yl)-5-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436766
2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436767
(E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide (3)
CID 122362931
N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]furan-2-carboxamide
CID 3740831
N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20908487
2-({[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
CID 662253
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one
CID 5307293
N-[4-fluoro-3-(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 76332422
2-(furan-2-yl)-5-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145971923
1-amino-N-(furan-2-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168288299

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 656134) is 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1.
What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VCKBPCVHHMGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-17(21-11-13-5-4-10-25-13)12-26-19-14(6-3-9-20-19)18-22-15-7-1-2-8-16(15)23-18/h1-10H,11-12H2,(H,21,24)(H,22,23).
What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 656134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).