N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide

C17H17N3O2 — CID 2583506

IUPACN-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)22-13-9-7-12(8-10-13)16(21)20-17-18-14-5-3-4-6-15(14)19-17/h3-11H,1-2H3,(H2,18,19,20,21)
InChIKeyBLEQAQIOLMTSSW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.60
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide

N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 2583506) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
PubChem CID2583506
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-11(2)22-13-9-7-12(8-10-13)16(21)20-17-18-14-5-3-4-6-15(14)19-17/h3-11H,1-2H3,(H2,18,19,20,21)
InChIKeyBLEQAQIOLMTSSW-UHFFFAOYSA-N
XLogP3.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.60
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)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide (CID 2583506) is N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is BLEQAQIOLMTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)22-13-9-7-12(8-10-13)16(21)20-17-18-14-5-3-4-6-15(14)19-17/h3-11H,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide?
N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 3.60, 4 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)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2583506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).