N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide

C24H23N3O2 — CID 15991043

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1
InChIInChI=1S/C24H23N3O2/c1-3-13-29-19-8-6-7-18(14-19)24(28)27-22-15-17(12-11-16(22)2)23-25-20-9-4-5-10-21(20)26-23/h4-12,14-15H,3,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyAYZYAGWYTKFPPB-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.58
Rot. Bonds6

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide (PubChem CID 15991043) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
PubChem CID15991043
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1
InChIInChI=1S/C24H23N3O2/c1-3-13-29-19-8-6-7-18(14-19)24(28)27-22-15-17(12-11-16(22)2)23-25-20-9-4-5-10-21(20)26-23/h4-12,14-15H,3,13H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyAYZYAGWYTKFPPB-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide (CID 15991043) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide?
The InChIKey is AYZYAGWYTKFPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-13-29-19-8-6-7-18(14-19)24(28)27-22-15-17(12-11-16(22)2)23-25-20-9-4-5-10-21(20)26-23/h4-12,14-15H,3,13H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide has a molecular weight of 385.47 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-propoxybenzamide is sourced from PubChem (CID 15991043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).