N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

C27H22N4O2 — CID 68778068

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C27H22N4O2/c1-18-9-10-20(26-29-23-7-2-3-8-24(23)30-26)16-25(18)31-27(32)19-11-13-22(14-12-19)33-17-21-6-4-5-15-28-21/h2-16H,17H2,1H3,(H,29,30)(H,31,32)
InChIKeyXXXYUGWOUJSRGE-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.76
Rot. Bonds6

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 68778068) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID68778068
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C27H22N4O2/c1-18-9-10-20(26-29-23-7-2-3-8-24(23)30-26)16-25(18)31-27(32)19-11-13-22(14-12-19)33-17-21-6-4-5-15-28-21/h2-16H,17H2,1H3,(H,29,30)(H,31,32)
InChIKeyXXXYUGWOUJSRGE-UHFFFAOYSA-N
XLogP5.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 68778068) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is XXXYUGWOUJSRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-18-9-10-20(26-29-23-7-2-3-8-24(23)30-26)16-25(18)31-27(32)19-11-13-22(14-12-19)33-17-21-6-4-5-15-28-21/h2-16H,17H2,1H3,(H,29,30)(H,31,32).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 434.50 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 68778068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).