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

C28H24N4O2 — CID 141233599

IUPACN-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(C)c(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C28H24N4O2/c1-18-15-19(2)26(16-23(18)27-30-24-8-3-4-9-25(24)31-27)32-28(33)20-10-12-22(13-11-20)34-17-21-7-5-6-14-29-21/h3-16H,17H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyKSZFASRKOSEUKA-UHFFFAOYSA-N
MW448.53 g/mol
LogP6.07
Rot. Bonds6

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

N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 141233599) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID141233599
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1cc(C)c(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C28H24N4O2/c1-18-15-19(2)26(16-23(18)27-30-24-8-3-4-9-25(24)31-27)32-28(33)20-10-12-22(13-11-20)34-17-21-7-5-6-14-29-21/h3-16H,17H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyKSZFASRKOSEUKA-UHFFFAOYSA-N
XLogP6.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.07
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)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 141233599) is N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1cc(C)c(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is KSZFASRKOSEUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-18-15-19(2)26(16-23(18)27-30-24-8-3-4-9-25(24)31-27)32-28(33)20-10-12-22(13-11-20)34-17-21-7-5-6-14-29-21/h3-16H,17H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[5-(1H-benzimidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 448.53 g/mol, XLogP of 6.07, 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)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 141233599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).