(2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

C24H30N4O2 — CID 92628103

IUPAC(2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCCc1nc2ccccc2n1[C@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H30N4O2/c1-4-23-25-20-10-6-8-12-22(20)28(23)18(2)24(29)26(3)17-19-9-5-7-11-21(19)27-13-15-30-16-14-27/h5-12,18H,4,13-17H2,1-3H3/t18-/m1/s1
InChIKeyXJWRZYGCCMUOMQ-GOSISDBHSA-N
MW406.53 g/mol
LogP3.65
Rot. Bonds6

About (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

(2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 92628103) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID92628103
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCCc1nc2ccccc2n1[C@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H30N4O2/c1-4-23-25-20-10-6-8-12-22(20)28(23)18(2)24(29)26(3)17-19-9-5-7-11-21(19)27-13-15-30-16-14-27/h5-12,18H,4,13-17H2,1-3H3/t18-/m1/s1
InChIKeyXJWRZYGCCMUOMQ-GOSISDBHSA-N
XLogP3.65
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (CID 92628103) is (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is CCc1nc2ccccc2n1[C@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is XJWRZYGCCMUOMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-23-25-20-10-6-8-12-22(20)28(23)18(2)24(29)26(3)17-19-9-5-7-11-21(19)27-13-15-30-16-14-27/h5-12,18H,4,13-17H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
(2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 92628103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).