N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide

C24H24ClN3O2 — CID 139033693

IUPACN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)C1=CC=CC1
InChIInChI=1S/C24H24ClN3O2/c25-19-10-3-6-13-22(19)30-17-7-16-28-21-12-5-4-11-20(21)27-23(28)14-15-26-24(29)18-8-1-2-9-18/h1-6,8,10-13H,7,9,14-17H2,(H,26,29)
InChIKeyYJLVUHRRQIPGHI-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.70
Rot. Bonds9

About N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide

N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 139033693) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID139033693
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)C1=CC=CC1
InChIInChI=1S/C24H24ClN3O2/c25-19-10-3-6-13-22(19)30-17-7-16-28-21-12-5-4-11-20(21)27-23(28)14-15-26-24(29)18-8-1-2-9-18/h1-6,8,10-13H,7,9,14-17H2,(H,26,29)
InChIKeyYJLVUHRRQIPGHI-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
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-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975007
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976753
2-chloro-N-[2-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976138
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974464
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429
N-[2-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979182
3-bromo-N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977819
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989384
2-chloro-N-[3-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982749
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988898
3-chloro-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977955

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide (CID 139033693) is N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide is O=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)C1=CC=CC1.
What is the InChIKey of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is YJLVUHRRQIPGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-19-10-3-6-13-22(19)30-17-7-16-28-21-12-5-4-11-20(21)27-23(28)14-15-26-24(29)18-8-1-2-9-18/h1-6,8,10-13H,7,9,14-17H2,(H,26,29).
What are the key properties of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide?
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.70, 9 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-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 139033693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).