N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide

C23H17N5OS — CID 11517166

IUPACN-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(-c2nccs2)c1
InChIInChI=1S/C23H17N5OS/c29-22(26-14-16-3-2-8-24-13-16)17-6-7-21-20(12-17)27-15-28(21)19-5-1-4-18(11-19)23-25-9-10-30-23/h1-13,15H,14H2,(H,26,29)
InChIKeyDRLNOZGSRYMKTH-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.47
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide

N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide (PubChem CID 11517166) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide
PubChem CID11517166
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC NameN-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(-c2nccs2)c1
InChIInChI=1S/C23H17N5OS/c29-22(26-14-16-3-2-8-24-13-16)17-6-7-21-20(12-17)27-15-28(21)19-5-1-4-18(11-19)23-25-9-10-30-23/h1-13,15H,14H2,(H,26,29)
InChIKeyDRLNOZGSRYMKTH-UHFFFAOYSA-N
XLogP4.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide (CID 11517166) is N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide is O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(-c2nccs2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide?
The InChIKey is DRLNOZGSRYMKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-22(26-14-16-3-2-8-24-13-16)17-6-7-21-20(12-17)27-15-28(21)19-5-1-4-18(11-19)23-25-9-10-30-23/h1-13,15H,14H2,(H,26,29).
What are the key properties of N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide?
N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 11517166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).