2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide

C23H29N3O2 — CID 16981288

IUPAC2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-12-10-18(11-13-19)15-26-21-8-5-4-7-20(21)25-22(26)9-6-14-24-23(27)16-28-3/h4-5,7-8,10-13,17H,6,9,14-16H2,1-3H3,(H,24,27)
InChIKeyYUOTZKFPKKVPNB-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.90
Rot. Bonds9

About 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide

2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16981288) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16981288
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)19-12-10-18(11-13-19)15-26-21-8-5-4-7-20(21)25-22(26)9-6-14-24-23(27)16-28-3/h4-5,7-8,10-13,17H,6,9,14-16H2,1-3H3,(H,24,27)
InChIKeyYUOTZKFPKKVPNB-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.90
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-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-methoxyacetamide
CID 16988334
2-(3,4-dimethoxyphenyl)-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985708
2-phenoxy-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992872
2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993844
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 16974552
2-(4-phenylphenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994330
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754655
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984897
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031181
2-(4-methoxyphenyl)-N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide (CID 16981288) is 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide is COCC(=O)NCCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is YUOTZKFPKKVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)19-12-10-18(11-13-19)15-26-21-8-5-4-7-20(21)25-22(26)9-6-14-24-23(27)16-28-3/h4-5,7-8,10-13,17H,6,9,14-16H2,1-3H3,(H,24,27).
What are the key properties of 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16981288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).