N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide

C22H26N4O3 — CID 56725089

IUPACN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C22H26N4O3/c1-17(29-18-7-3-2-4-8-18)21(27)24-22-23-19-9-5-6-10-20(19)26(22)12-11-25-13-15-28-16-14-25/h2-10,17H,11-16H2,1H3,(H,23,24,27)
InChIKeyFQWHMVXIRBCISW-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.77
Rot. Bonds7

About N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide

N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide (PubChem CID 56725089) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide
PubChem CID56725089
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C22H26N4O3/c1-17(29-18-7-3-2-4-8-18)21(27)24-22-23-19-9-5-6-10-20(19)26(22)12-11-25-13-15-28-16-14-25/h2-10,17H,11-16H2,1H3,(H,23,24,27)
InChIKeyFQWHMVXIRBCISW-UHFFFAOYSA-N
XLogP2.77
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39734554
2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39855257
4-iodo-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1028481
4-chloro-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 17026881
3-methoxy-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956377
N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 157012475
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959274
1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
CID 39735359
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenoxypropanamide
CID 51163418
3-ethoxy-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 35592391

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide (CID 56725089) is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide?
The InChIKey is FQWHMVXIRBCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-17(29-18-7-3-2-4-8-18)21(27)24-22-23-19-9-5-6-10-20(19)26(22)12-11-25-13-15-28-16-14-25/h2-10,17H,11-16H2,1H3,(H,23,24,27).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide?
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide has a molecular weight of 394.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 56725089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).