N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide

C20H23N3O4 — CID 3293921

IUPACN-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(C)cc1-n1cnc2cc(C(=O)NCC(OC)OC)ccc21
InChIInChI=1S/C20H23N3O4/c1-13-5-8-18(25-2)17(9-13)23-12-22-15-10-14(6-7-16(15)23)20(24)21-11-19(26-3)27-4/h5-10,12,19H,11H2,1-4H3,(H,21,24)
InChIKeyMIROIZTUFKMUIC-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.69
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide

N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 3293921) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
PubChem CID3293921
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(C)cc1-n1cnc2cc(C(=O)NCC(OC)OC)ccc21
InChIInChI=1S/C20H23N3O4/c1-13-5-8-18(25-2)17(9-13)23-12-22-15-10-14(6-7-16(15)23)20(24)21-11-19(26-3)27-4/h5-10,12,19H,11H2,1-4H3,(H,21,24)
InChIKeyMIROIZTUFKMUIC-UHFFFAOYSA-N
XLogP2.69
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)-2-methylbenzimidazole-5-carboxamide
CID 4564435
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
CID 4087961
1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
CID 3448788
1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide
CID 3293920
1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 4288193
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
CID 156811262

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide (CID 3293921) is N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide is COc1ccc(C)cc1-n1cnc2cc(C(=O)NCC(OC)OC)ccc21.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is MIROIZTUFKMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-5-8-18(25-2)17(9-13)23-12-22-15-10-14(6-7-16(15)23)20(24)21-11-19(26-3)27-4/h5-10,12,19H,11H2,1-4H3,(H,21,24).
What are the key properties of N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide?
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).