N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

C22H26N4O2 — CID 51159495

IUPACN-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C22H26N4O2/c27-22(23-12-13-25-14-16-28-17-15-25)11-10-21-24-19-8-4-5-9-20(19)26(21)18-6-2-1-3-7-18/h1-9H,10-17H2,(H,23,27)
InChIKeyWJKOZULORQNYHD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.41
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide

N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 51159495) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID51159495
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)NCCN1CCOCC1
InChIInChI=1S/C22H26N4O2/c27-22(23-12-13-25-14-16-28-17-15-25)11-10-21-24-19-8-4-5-9-20(19)26(21)18-6-2-1-3-7-18/h1-9H,10-17H2,(H,23,27)
InChIKeyWJKOZULORQNYHD-UHFFFAOYSA-N
XLogP2.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
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N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55332413
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
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N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
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N-(3-morpholin-4-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
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2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
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3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42810075
3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 51159495) is N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is WJKOZULORQNYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-22(23-12-13-25-14-16-28-17-15-25)11-10-21-24-19-8-4-5-9-20(19)26(21)18-6-2-1-3-7-18/h1-9H,10-17H2,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 51159495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).