N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C19H13N5OS — CID 57401823

IUPACN-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C19H13N5OS/c20-9-13-5-7-14(8-6-13)22-18(25)10-24-17-4-2-1-3-15(17)23-19(24)16-11-26-12-21-16/h1-8,11-12H,10H2,(H,22,25)
InChIKeyFCPKQRGOAXWONB-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.67
Rot. Bonds4

About N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 57401823) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID57401823
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC NameN-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESN#Cc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C19H13N5OS/c20-9-13-5-7-14(8-6-13)22-18(25)10-24-17-4-2-1-3-15(17)23-19(24)16-11-26-12-21-16/h1-8,11-12H,10H2,(H,22,25)
InChIKeyFCPKQRGOAXWONB-UHFFFAOYSA-N
XLogP3.67
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 57401823) is N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is N#Cc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is FCPKQRGOAXWONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c20-9-13-5-7-14(8-6-13)22-18(25)10-24-17-4-2-1-3-15(17)23-19(24)16-11-26-12-21-16/h1-8,11-12H,10H2,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 57401823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).