N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide

C23H29N3O5 — CID 5305578

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)cc(OCC)c1OCC
InChIInChI=1S/C23H29N3O5/c1-6-29-19-12-16(13-20(30-7-2)21(19)31-8-3)22(27)24-14-15-9-10-17-18(11-15)26(5)23(28)25(17)4/h9-13H,6-8,14H2,1-5H3,(H,24,27)
InChIKeyFAHWOZAYXONLOR-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.00
Rot. Bonds9

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide (PubChem CID 5305578) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
PubChem CID5305578
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)cc(OCC)c1OCC
InChIInChI=1S/C23H29N3O5/c1-6-29-19-12-16(13-20(30-7-2)21(19)31-8-3)22(27)24-14-15-9-10-17-18(11-15)26(5)23(28)25(17)4/h9-13H,6-8,14H2,1-5H3,(H,24,27)
InChIKeyFAHWOZAYXONLOR-UHFFFAOYSA-N
XLogP3.00
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
CID 15990247
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 72937054
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
CID 49199824
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56700613
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide (CID 5305578) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)cc(OCC)c1OCC.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide?
The InChIKey is FAHWOZAYXONLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-6-29-19-12-16(13-20(30-7-2)21(19)31-8-3)22(27)24-14-15-9-10-17-18(11-15)26(5)23(28)25(17)4/h9-13H,6-8,14H2,1-5H3,(H,24,27).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide has a molecular weight of 427.50 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 5305578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).