7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide

C26H27N5O4 — CID 42451517

IUPAC7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc2nc(-c3cccnc3)n(C)c12
InChIInChI=1S/C26H27N5O4/c1-16(17-7-9-20(35-4)10-8-17)28-26(33)19-12-21(29-23(32)15-34-3)24-22(13-19)30-25(31(24)2)18-6-5-11-27-14-18/h5-14,16H,15H2,1-4H3,(H,28,33)(H,29,32)/t16-/m1/s1
InChIKeyLVTGDMSQLDHJPD-MRXNPFEDSA-N
MW473.53 g/mol
LogP3.72
Rot. Bonds8

About 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide

7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide (PubChem CID 42451517) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide
PubChem CID42451517
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc2nc(-c3cccnc3)n(C)c12
InChIInChI=1S/C26H27N5O4/c1-16(17-7-9-20(35-4)10-8-17)28-26(33)19-12-21(29-23(32)15-34-3)24-22(13-19)30-25(31(24)2)18-6-5-11-27-14-18/h5-14,16H,15H2,1-4H3,(H,28,33)(H,29,32)/t16-/m1/s1
InChIKeyLVTGDMSQLDHJPD-MRXNPFEDSA-N
XLogP3.72
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(2-methoxyacetyl)amino]-1-methyl-2-pyridin-3-yl-N-[[(1S,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]benzimidazole-5-carboxamide
CID 42436335
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide
CID 42363754
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92582474
N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965475
7-[(2-methoxyacetyl)amino]-N,1-dimethyl-2-phenyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 26278540
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide
CID 58739189
3,5-dimethoxy-N-[(1R)-1-(4-phenylphenyl)ethyl]benzamide
CID 7948871

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide?
The IUPAC name of 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide (CID 42451517) is 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide is COCC(=O)Nc1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc2nc(-c3cccnc3)n(C)c12.
What is the InChIKey of 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide?
The InChIKey is LVTGDMSQLDHJPD-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16(17-7-9-20(35-4)10-8-17)28-26(33)19-12-21(29-23(32)15-34-3)24-22(13-19)30-25(31(24)2)18-6-5-11-27-14-18/h5-14,16H,15H2,1-4H3,(H,28,33)(H,29,32)/t16-/m1/s1.
What are the key properties of 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide?
7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyacetyl)amino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-2-pyridin-3-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 42451517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).