N-(benzimidazol-1-yl)-3,4-diethoxybenzamide

C18H19N3O3 — CID 24535717

IUPACN-(benzimidazol-1-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nn2cnc3ccccc32)cc1OCC
InChIInChI=1S/C18H19N3O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)18(22)20-21-12-19-14-7-5-6-8-15(14)21/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyHTFIMKIXDCQOSO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.22
Rot. Bonds6

About N-(benzimidazol-1-yl)-3,4-diethoxybenzamide

N-(benzimidazol-1-yl)-3,4-diethoxybenzamide (PubChem CID 24535717) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3,4-diethoxybenzamide
PubChem CID24535717
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(benzimidazol-1-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nn2cnc3ccccc32)cc1OCC
InChIInChI=1S/C18H19N3O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)18(22)20-21-12-19-14-7-5-6-8-15(14)21/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyHTFIMKIXDCQOSO-UHFFFAOYSA-N
XLogP3.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzimidazol-1-yl)-4-butoxy-3-methoxybenzamide
CID 34328240
N-(benzimidazol-1-yl)-5-bromopyridine-3-carboxamide
CID 17481088
(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 34333370
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 154859119
N-[4-(benzimidazol-1-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55575206
2-[2-ethoxy-4-[(1-ethylbenzimidazol-2-yl)carbamoyl]phenoxy]acetic acid
CID 119179389
2-(benzimidazol-1-ylcarbamoyl)benzoic acid
CID 134107318
N-(benzimidazol-1-yl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide
CID 35983676
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55581962
N-(benzimidazol-1-yl)-2-bromobenzamide
CID 24535711
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(benzimidazol-1-yl)-3,4-diethoxybenzamide (CID 24535717) is N-(benzimidazol-1-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nn2cnc3ccccc32)cc1OCC.
What is the InChIKey of N-(benzimidazol-1-yl)-3,4-diethoxybenzamide?
The InChIKey is HTFIMKIXDCQOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)18(22)20-21-12-19-14-7-5-6-8-15(14)21/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(benzimidazol-1-yl)-3,4-diethoxybenzamide?
N-(benzimidazol-1-yl)-3,4-diethoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 24535717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).