4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine

C21H33N5O — CID 164835741

IUPAC4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
SMILESC[C@@H](Cc1nc2ccccc2n1CCN1CCOCC1)N1CCN(C)CC1
InChIInChI=1S/C21H33N5O/c1-18(25-10-7-23(2)8-11-25)17-21-22-19-5-3-4-6-20(19)26(21)12-9-24-13-15-27-16-14-24/h3-6,18H,7-17H2,1-2H3/t18-/m0/s1
InChIKeyDLMGIABNTMJTGU-SFHVURJKSA-N
MW371.53 g/mol
LogP1.55
Rot. Bonds6

About 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine

4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine (PubChem CID 164835741) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
PubChem CID164835741
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
SMILESC[C@@H](Cc1nc2ccccc2n1CCN1CCOCC1)N1CCN(C)CC1
InChIInChI=1S/C21H33N5O/c1-18(25-10-7-23(2)8-11-25)17-21-22-19-5-3-4-6-20(19)26(21)12-9-24-13-15-27-16-14-24/h3-6,18H,7-17H2,1-2H3/t18-/m0/s1
InChIKeyDLMGIABNTMJTGU-SFHVURJKSA-N
XLogP1.55
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
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
4-[(2-methylbenzimidazol-1-yl)methyl]morpholine
CID 3600029
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine (CID 164835741) is 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine is C[C@@H](Cc1nc2ccccc2n1CCN1CCOCC1)N1CCN(C)CC1.
What is the InChIKey of 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine?
The InChIKey is DLMGIABNTMJTGU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N5O/c1-18(25-10-7-23(2)8-11-25)17-21-22-19-5-3-4-6-20(19)26(21)12-9-24-13-15-27-16-14-24/h3-6,18H,7-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine?
4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine has a molecular weight of 371.53 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 164835741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).