N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide

C23H27N3O3 — CID 60543061

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)22(23-24-18-7-4-5-8-19(18)25-23)26-21(28)10-6-9-20(27)16-11-13-17(29-3)14-12-16/h4-5,7-8,11-15,22H,6,9-10H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyIBLMTVGAQHRMGC-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.44
Rot. Bonds9

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 60543061) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID60543061
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)22(23-24-18-7-4-5-8-19(18)25-23)26-21(28)10-6-9-20(27)16-11-13-17(29-3)14-12-16/h4-5,7-8,11-15,22H,6,9-10H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyIBLMTVGAQHRMGC-UHFFFAOYSA-N
XLogP4.44
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide
CID 4780870
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-fluorophenoxy)butanamide
CID 60550031
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
5-(4-methoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopentanamide
CID 55914870
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55344683

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide (CID 60543061) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is IBLMTVGAQHRMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)22(23-24-18-7-4-5-8-19(18)25-23)26-21(28)10-6-9-20(27)16-11-13-17(29-3)14-12-16/h4-5,7-8,11-15,22H,6,9-10H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 393.49 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 60543061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).