(2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide

C24H30N4O2 — CID 51594515

IUPAC(2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCCc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H30N4O2/c1-3-23-25-21-10-6-7-11-22(21)28(23)16-18(2)24(29)26-20-9-5-4-8-19(20)17-27-12-14-30-15-13-27/h4-11,18H,3,12-17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyFFONQSSIRKMFCF-SFHVURJKSA-N
MW406.53 g/mol
LogP3.71
Rot. Bonds7

About (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide

(2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 51594515) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID51594515
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCCc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C24H30N4O2/c1-3-23-25-21-10-6-7-11-22(21)28(23)16-18(2)24(29)26-20-9-5-4-8-19(20)17-27-12-14-30-15-13-27/h4-11,18H,3,12-17H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyFFONQSSIRKMFCF-SFHVURJKSA-N
XLogP3.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
N-benzyl-2-(2-ethylbenzimidazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500579
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 157012475
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389
1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 110879081
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
1-ethyl-4,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]-2-oxopyridine-3-carboxamide
CID 131905733
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914079

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide (CID 51594515) is (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide is CCc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is FFONQSSIRKMFCF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-23-25-21-10-6-7-11-22(21)28(23)16-18(2)24(29)26-20-9-5-4-8-19(20)17-27-12-14-30-15-13-27/h4-11,18H,3,12-17H2,1-2H3,(H,26,29)/t18-/m0/s1.
What are the key properties of (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide?
(2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-ethylbenzimidazol-1-yl)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 51594515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).