2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide

C22H19N3O2 — CID 10108984

IUPAC2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1C
InChIInChI=1S/C22H19N3O2/c1-13-3-7-18(11-14(13)2)27-17-8-4-15(5-9-17)22-24-19-10-6-16(21(23)26)12-20(19)25-22/h3-12H,1-2H3,(H2,23,26)(H,24,25)
InChIKeyVRFNSWZSKMEKCH-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.74
Rot. Bonds4

About 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10108984) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10108984
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1C
InChIInChI=1S/C22H19N3O2/c1-13-3-7-18(11-14(13)2)27-17-8-4-15(5-9-17)22-24-19-10-6-16(21(23)26)12-20(19)25-22/h3-12H,1-2H3,(H2,23,26)(H,24,25)
InChIKeyVRFNSWZSKMEKCH-UHFFFAOYSA-N
XLogP4.74
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 10108984) is 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is Cc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VRFNSWZSKMEKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-3-7-18(11-14(13)2)27-17-8-4-15(5-9-17)22-24-19-10-6-16(21(23)26)12-20(19)25-22/h3-12H,1-2H3,(H2,23,26)(H,24,25).
What are the key properties of 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10108984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).