N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide

C18H17N3O2 — CID 2941429

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCO1
InChIInChI=1S/C18H17N3O2/c22-18(16-6-3-11-23-16)19-13-9-7-12(8-10-13)17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,7-10,16H,3,6,11H2,(H,19,22)(H,20,21)
InChIKeyLNYMZHXVQVCWQT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.35
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 2941429) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID2941429
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCO1
InChIInChI=1S/C18H17N3O2/c22-18(16-6-3-11-23-16)19-13-9-7-12(8-10-13)17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,7-10,16H,3,6,11H2,(H,19,22)(H,20,21)
InChIKeyLNYMZHXVQVCWQT-UHFFFAOYSA-N
XLogP3.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide (CID 2941429) is N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCO1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is LNYMZHXVQVCWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(16-6-3-11-23-16)19-13-9-7-12(8-10-13)17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,7-10,16H,3,6,11H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2941429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).