N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide

C17H17N3O2 — CID 2083287

IUPACN-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-9-6-12(7-10-13)8-11-16(21)20-17-18-14-4-2-3-5-15(14)19-17/h2-7,9-10H,8,11H2,1H3,(H2,18,19,20,21)
InChIKeyMXMKPEIKBPBHNL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide

N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 2083287) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID2083287
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-9-6-12(7-10-13)8-11-16(21)20-17-18-14-4-2-3-5-15(14)19-17/h2-7,9-10H,8,11H2,1H3,(H2,18,19,20,21)
InChIKeyMXMKPEIKBPBHNL-UHFFFAOYSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide (CID 2083287) is N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is MXMKPEIKBPBHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-13-9-6-12(7-10-13)8-11-16(21)20-17-18-14-4-2-3-5-15(14)19-17/h2-7,9-10H,8,11H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2083287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).