N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide

C19H21N3O4 — CID 4087961

IUPACN-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCC(OC)OC)ccc32)cc1
InChIInChI=1S/C19H21N3O4/c1-24-15-7-5-14(6-8-15)22-12-21-16-10-13(4-9-17(16)22)19(23)20-11-18(25-2)26-3/h4-10,12,18H,11H2,1-3H3,(H,20,23)
InChIKeyXCXDCYJNHHZNDS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.38
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide

N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 4087961) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
PubChem CID4087961
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCC(OC)OC)ccc32)cc1
InChIInChI=1S/C19H21N3O4/c1-24-15-7-5-14(6-8-15)22-12-21-16-10-13(4-9-17(16)22)19(23)20-11-18(25-2)26-3/h4-10,12,18H,11H2,1-3H3,(H,20,23)
InChIKeyXCXDCYJNHHZNDS-UHFFFAOYSA-N
XLogP2.38
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.38
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

1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
CID 3448788
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
methyl 2-cyclopropyl-1-(4-methoxyphenyl)benzimidazole-5-carboxylate;methyl 1-(4-methoxyphenyl)benzimidazole-5-carboxylate
CID 166667370
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 94809037
4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31333795
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide (CID 4087961) is N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide is COc1ccc(-n2cnc3cc(C(=O)NCC(OC)OC)ccc32)cc1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is XCXDCYJNHHZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-24-15-7-5-14(6-8-15)22-12-21-16-10-13(4-9-17(16)22)19(23)20-11-18(25-2)26-3/h4-10,12,18H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.38, 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-(4-methoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4087961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).