2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide

C22H19N3O2 — CID 175537952

IUPAC2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cccc(OCc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1
InChIInChI=1S/C22H19N3O2/c1-14-4-2-5-17(12-14)27-13-15-8-10-16(11-9-15)22-24-19-7-3-6-18(21(23)26)20(19)25-22/h2-12H,13H2,1H3,(H2,23,26)(H,24,25)
InChIKeyLXAITCMBOZPLAO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.22
Rot. Bonds5

About 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide

2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 175537952) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID175537952
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1cccc(OCc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1
InChIInChI=1S/C22H19N3O2/c1-14-4-2-5-17(12-14)27-13-15-8-10-16(11-9-15)22-24-19-7-3-6-18(21(23)26)20(19)25-22/h2-12H,13H2,1H3,(H2,23,26)(H,24,25)
InChIKeyLXAITCMBOZPLAO-UHFFFAOYSA-N
XLogP4.22
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-carbamoyl-1H-benzimidazol-2-yl)phenyl]methyl 2-(methyldisulfanyl)ethyl carbonate
CID 139314602
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 44542664
6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide
CID 122182183
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 24825799
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098
[1-[4-(4-carbamoyl-1H-benzimidazol-2-yl)phenyl]-3-(pyridin-2-yldisulfanyl)propan-2-yl] hydrogen carbonate
CID 138732556
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433003
4-methyl-2-[4-[(3-methylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylate
CID 7745349
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 175537952) is 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide is Cc1cccc(OCc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)c1.
What is the InChIKey of 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is LXAITCMBOZPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-4-2-5-17(12-14)27-13-15-8-10-16(11-9-15)22-24-19-7-3-6-18(21(23)26)20(19)25-22/h2-12H,13H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 175537952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).