N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide

C19H19N3O2 — CID 2975207

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCCO4)cc3)[nH]c2c1
InChIInChI=1S/C19H19N3O2/c1-12-4-9-15-16(11-12)22-18(21-15)13-5-7-14(8-6-13)20-19(23)17-3-2-10-24-17/h4-9,11,17H,2-3,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLAIWVHLQXOQFKD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.66
Rot. Bonds3

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 2975207) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID2975207
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C4CCCO4)cc3)[nH]c2c1
InChIInChI=1S/C19H19N3O2/c1-12-4-9-15-16(11-12)22-18(21-15)13-5-7-14(8-6-13)20-19(23)17-3-2-10-24-17/h4-9,11,17H,2-3,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLAIWVHLQXOQFKD-UHFFFAOYSA-N
XLogP3.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide (CID 2975207) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCCO4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is LAIWVHLQXOQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-4-9-15-16(11-12)22-18(21-15)13-5-7-14(8-6-13)20-19(23)17-3-2-10-24-17/h4-9,11,17H,2-3,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2975207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).