N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide

C18H14N4O2S — CID 154851106

IUPACN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-c2cccs2)n1
InChIInChI=1S/C18H14N4O2S/c23-17(14-4-1-3-13(20-14)16-5-2-8-25-16)19-10-11-6-7-12-15(9-11)22-18(24)21-12/h1-9H,10H2,(H,19,23)(H2,21,22,24)
InChIKeyPSMOSYOPNQRHNZ-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide (PubChem CID 154851106) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide
PubChem CID154851106
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-c2cccs2)n1
InChIInChI=1S/C18H14N4O2S/c23-17(14-4-1-3-13(20-14)16-5-2-8-25-16)19-10-11-6-7-12-15(9-11)22-18(24)21-12/h1-9H,10H2,(H,19,23)(H2,21,22,24)
InChIKeyPSMOSYOPNQRHNZ-UHFFFAOYSA-N
XLogP2.91
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide (CID 154851106) is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(-c2cccs2)n1.
What is the InChIKey of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide?
The InChIKey is PSMOSYOPNQRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-17(14-4-1-3-13(20-14)16-5-2-8-25-16)19-10-11-6-7-12-15(9-11)22-18(24)21-12/h1-9H,10H2,(H,19,23)(H2,21,22,24).
What are the key properties of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide?
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 154851106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).