N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide

C27H30N4O3 — CID 10195272

IUPACN-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide
SMILESCOCCNC(=O)CCCCOc1ccc2nc(-c3cccnc3)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C27H30N4O3/c1-20-8-10-22(11-9-20)31-25-18-23(34-16-4-3-7-26(32)29-15-17-33-2)12-13-24(25)30-27(31)21-6-5-14-28-19-21/h5-6,8-14,18-19H,3-4,7,15-17H2,1-2H3,(H,29,32)
InChIKeyXOFREJFONDZFHR-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.71
Rot. Bonds11

About N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide

N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide (PubChem CID 10195272) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide
PubChem CID10195272
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide
SMILESCOCCNC(=O)CCCCOc1ccc2nc(-c3cccnc3)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C27H30N4O3/c1-20-8-10-22(11-9-20)31-25-18-23(34-16-4-3-7-26(32)29-15-17-33-2)12-13-24(25)30-27(31)21-6-5-14-28-19-21/h5-6,8-14,18-19H,3-4,7,15-17H2,1-2H3,(H,29,32)
InChIKeyXOFREJFONDZFHR-UHFFFAOYSA-N
XLogP4.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
methyl 6-[2-(3-methylphenyl)-3-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67366010
5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
methyl 6-[3-(4-methylphenyl)-2-thiophen-2-ylbenzimidazol-5-yl]oxyhexanoate
CID 11510345
methyl 6-[3-(3-methoxypropyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxyhexanoate;methyl 6-[3-(3-methoxypropyl)-2-[4-(trifluoromethoxy)phenyl]benzimidazol-5-yl]oxyhexanoate
CID 158655362
methyl 6-(2-phenyl-1-pyridin-3-ylbenzimidazol-5-yl)oxyhexanoate
CID 10180087
methyl 6-[3-(3-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10296194
N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide
CID 10184418
methyl 6-[2-phenyl-3-(3-phenylmethoxyphenyl)benzimidazol-5-yl]oxyhexanoate
CID 67365250
methyl 6-[3-(9H-fluoren-2-yl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67365288
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
methyl 6-[3-(3-cyanophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10138097

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide?
The IUPAC name of N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide (CID 10195272) is N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide is COCCNC(=O)CCCCOc1ccc2nc(-c3cccnc3)n(-c3ccc(C)cc3)c2c1.
What is the InChIKey of N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide?
The InChIKey is XOFREJFONDZFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20-8-10-22(11-9-20)31-25-18-23(34-16-4-3-7-26(32)29-15-17-33-2)12-13-24(25)30-27(31)21-6-5-14-28-19-21/h5-6,8-14,18-19H,3-4,7,15-17H2,1-2H3,(H,29,32).
What are the key properties of N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide?
N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide has a molecular weight of 458.56 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide is sourced from PubChem (CID 10195272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).