6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide

C23H24N6O3S — CID 26279270

IUPAC6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)[C@@H](C)c2nccs2)c2c(c1)nc(-c1ccncc1)n2C
InChIInChI=1S/C23H24N6O3S/c1-14(22-25-9-10-33-22)28(2)23(31)17-11-16(26-19(30)13-32-4)12-18-20(17)29(3)21(27-18)15-5-7-24-8-6-15/h5-12,14H,13H2,1-4H3,(H,26,30)/t14-/m0/s1
InChIKeyXBVYOOCEESTQDN-AWEZNQCLSA-N
MW464.55 g/mol
LogP3.51
Rot. Bonds7

About 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide

6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide (PubChem CID 26279270) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
PubChem CID26279270
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC Name6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(C)[C@@H](C)c2nccs2)c2c(c1)nc(-c1ccncc1)n2C
InChIInChI=1S/C23H24N6O3S/c1-14(22-25-9-10-33-22)28(2)23(31)17-11-16(26-19(30)13-32-4)12-18-20(17)29(3)21(27-18)15-5-7-24-8-6-15/h5-12,14H,13H2,1-4H3,(H,26,30)/t14-/m0/s1
InChIKeyXBVYOOCEESTQDN-AWEZNQCLSA-N
XLogP3.51
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide (CID 26279270) is 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide is COCC(=O)Nc1cc(C(=O)N(C)[C@@H](C)c2nccs2)c2c(c1)nc(-c1ccncc1)n2C.
What is the InChIKey of 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
The InChIKey is XBVYOOCEESTQDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-14(22-25-9-10-33-22)28(2)23(31)17-11-16(26-19(30)13-32-4)12-18-20(17)29(3)21(27-18)15-5-7-24-8-6-15/h5-12,14H,13H2,1-4H3,(H,26,30)/t14-/m0/s1.
What are the key properties of 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide?
6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 26279270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).