N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide

C16H21N3O2 — CID 16981769

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
SMILESCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-19-13-7-3-2-6-12(13)18-15(19)9-4-10-17-16(20)14-8-5-11-21-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyLXASODFJBLJMJR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds5

About N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide (PubChem CID 16981769) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
PubChem CID16981769
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
SMILESCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-19-13-7-3-2-6-12(13)18-15(19)9-4-10-17-16(20)14-8-5-11-21-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,20)
InChIKeyLXASODFJBLJMJR-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[3-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981912
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981794
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981845
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981827
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[3-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981804
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide (CID 16981769) is N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide is Cn1c(CCCNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
The InChIKey is LXASODFJBLJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-13-7-3-2-6-12(13)18-15(19)9-4-10-17-16(20)14-8-5-11-21-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,17,20).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 16981769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).