6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide

C23H24N6O2S — CID 42479645

IUPAC6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide
SMILESCCc1nc2cc(NC(C)=O)cc(C(=O)NCCc3cscn3)c2n1Cc1cccnc1
InChIInChI=1S/C23H24N6O2S/c1-3-21-28-20-10-18(27-15(2)30)9-19(23(31)25-8-6-17-13-32-14-26-17)22(20)29(21)12-16-5-4-7-24-11-16/h4-5,7,9-11,13-14H,3,6,8,12H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyZBQBXHMIQHZHSI-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.43
Rot. Bonds8

About 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide

6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide (PubChem CID 42479645) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide
PubChem CID42479645
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide
SMILESCCc1nc2cc(NC(C)=O)cc(C(=O)NCCc3cscn3)c2n1Cc1cccnc1
InChIInChI=1S/C23H24N6O2S/c1-3-21-28-20-10-18(27-15(2)30)9-19(23(31)25-8-6-17-13-32-14-26-17)22(20)29(21)12-16-5-4-7-24-11-16/h4-5,7,9-11,13-14H,3,6,8,12H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyZBQBXHMIQHZHSI-UHFFFAOYSA-N
XLogP3.43
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide
CID 45238330
2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 63824011
2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 42277682
2-(4-fluorophenyl)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305024
(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 98518017
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide
CID 42483858
5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 71974317
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 46985118
6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide
CID 42164827
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide (CID 42479645) is 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide is CCc1nc2cc(NC(C)=O)cc(C(=O)NCCc3cscn3)c2n1Cc1cccnc1.
What is the InChIKey of 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide?
The InChIKey is ZBQBXHMIQHZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-3-21-28-20-10-18(27-15(2)30)9-19(23(31)25-8-6-17-13-32-14-26-17)22(20)29(21)12-16-5-4-7-24-11-16/h4-5,7,9-11,13-14H,3,6,8,12H2,1-2H3,(H,25,31)(H,27,30).
What are the key properties of 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide?
6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 42479645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).