N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide

C24H23N3O2 — CID 3348580

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H23N3O2/c1-16(2)15-29-20-12-10-17(11-13-20)24(28)25-19-7-5-6-18(14-19)23-26-21-8-3-4-9-22(21)27-23/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCCBYEGKYGHYJBT-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.52
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 3348580) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID3348580
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H23N3O2/c1-16(2)15-29-20-12-10-17(11-13-20)24(28)25-19-7-5-6-18(14-19)23-26-21-8-3-4-9-22(21)27-23/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCCBYEGKYGHYJBT-UHFFFAOYSA-N
XLogP5.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide (CID 3348580) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is CCBYEGKYGHYJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16(2)15-29-20-12-10-17(11-13-20)24(28)25-19-7-5-6-18(14-19)23-26-21-8-3-4-9-22(21)27-23/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 385.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 3348580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).