N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide

C24H31N3O2 — CID 16974316

IUPACN-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1C(C)C
InChIInChI=1S/C24H31N3O2/c1-4-24(28)25-15-14-23-26-20-11-6-7-12-21(20)27(23)16-9-17-29-22-13-8-5-10-19(22)18(2)3/h5-8,10-13,18H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyIBFVRELUFPCBFD-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.70
Rot. Bonds10

About N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide

N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16974316) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID16974316
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1C(C)C
InChIInChI=1S/C24H31N3O2/c1-4-24(28)25-15-14-23-26-20-11-6-7-12-21(20)27(23)16-9-17-29-22-13-8-5-10-19(22)18(2)3/h5-8,10-13,18H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyIBFVRELUFPCBFD-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.70
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-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974343
N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980588
N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965931
N-[5-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988245
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974358
2-phenoxy-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992914
2-phenoxy-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16986322
2-methyl-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986941
2-(4-phenylphenyl)-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16985912
2-(2-chlorophenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979284
2-(4-methoxyphenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979608

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide (CID 16974316) is N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1C(C)C.
What is the InChIKey of N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is IBFVRELUFPCBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-24(28)25-15-14-23-26-20-11-6-7-12-21(20)27(23)16-9-17-29-22-13-8-5-10-19(22)18(2)3/h5-8,10-13,18H,4,9,14-17H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16974316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).