N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C25H31FN4O3 — CID 24666131

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C25H31FN4O3/c1-2-12-29-21-5-3-4-6-22(21)30(25(29)32)13-11-24(31)27-18-23(28-14-16-33-17-15-28)19-7-9-20(26)10-8-19/h3-10,23H,2,11-18H2,1H3,(H,27,31)
InChIKeyKYPKCYBFEHQHFN-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.93
Rot. Bonds9

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 24666131) has the molecular formula C25H31FN4O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID24666131
Molecular FormulaC25H31FN4O3
Molecular Weight454.55 g/mol
Exact Mass454.24
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C25H31FN4O3/c1-2-12-29-21-5-3-4-6-22(21)30(25(29)32)13-11-24(31)27-18-23(28-14-16-33-17-15-28)19-7-9-20(26)10-8-19/h3-10,23H,2,11-18H2,1H3,(H,27,31)
InChIKeyKYPKCYBFEHQHFN-UHFFFAOYSA-N
XLogP2.93
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyphenyl)propanamide
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N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
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N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
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N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
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N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 24666131) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c2ccccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is KYPKCYBFEHQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O3/c1-2-12-29-21-5-3-4-6-22(21)30(25(29)32)13-11-24(31)27-18-23(28-14-16-33-17-15-28)19-7-9-20(26)10-8-19/h3-10,23H,2,11-18H2,1H3,(H,27,31).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 454.55 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 24666131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).