N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide

C22H25N3O3 — CID 16974054

IUPACN-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCOc1ccccc1)C1CCCO1
InChIInChI=1S/C22H25N3O3/c26-22(20-12-6-14-28-20)23-16-21-24-18-10-4-5-11-19(18)25(21)13-7-15-27-17-8-2-1-3-9-17/h1-5,8-11,20H,6-7,12-16H2,(H,23,26)
InChIKeyNBLZIFFTPHNCTL-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds8

About N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide

N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 16974054) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID16974054
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCOc1ccccc1)C1CCCO1
InChIInChI=1S/C22H25N3O3/c26-22(20-12-6-14-28-20)23-16-21-24-18-10-4-5-11-19(18)25(21)13-7-15-27-17-8-2-1-3-9-17/h1-5,8-11,20H,6-7,12-16H2,(H,23,26)
InChIKeyNBLZIFFTPHNCTL-UHFFFAOYSA-N
XLogP3.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974101
N-[[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974070
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974106
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969825
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973985
N-[2-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975415

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide (CID 16974054) is N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide is O=C(NCc1nc2ccccc2n1CCCOc1ccccc1)C1CCCO1.
What is the InChIKey of N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is NBLZIFFTPHNCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-22(20-12-6-14-28-20)23-16-21-24-18-10-4-5-11-19(18)25(21)13-7-15-27-17-8-2-1-3-9-17/h1-5,8-11,20H,6-7,12-16H2,(H,23,26).
What are the key properties of N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 16974054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).