N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

C23H27N3O2 — CID 16981657

IUPACN-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCc1ccccc1OCCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-17-7-2-5-10-21(17)28-16-15-26-20-9-4-3-8-19(20)25-22(26)11-6-14-24-23(27)18-12-13-18/h2-5,7-10,18H,6,11-16H2,1H3,(H,24,27)
InChIKeyRSRXPPSCZZCWSR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.88
Rot. Bonds9

About N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (PubChem CID 16981657) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
PubChem CID16981657
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCc1ccccc1OCCn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-17-7-2-5-10-21(17)28-16-15-26-20-9-4-3-8-19(20)25-22(26)11-6-14-24-23(27)18-12-13-18/h2-5,7-10,18H,6,11-16H2,1H3,(H,24,27)
InChIKeyRSRXPPSCZZCWSR-UHFFFAOYSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.88
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-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981546
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981715
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981549
N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989180
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989213
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981845
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975074
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981697
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966223

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (CID 16981657) is N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is Cc1ccccc1OCCn1c(CCCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The InChIKey is RSRXPPSCZZCWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-7-2-5-10-21(17)28-16-15-26-20-9-4-3-8-19(20)25-22(26)11-6-14-24-23(27)18-12-13-18/h2-5,7-10,18H,6,11-16H2,1H3,(H,24,27).
What are the key properties of N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 16981657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).