(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol

C19H30N4O2 — CID 95350368

IUPAC(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@H](O)CN3CCO[C@H](CN(C)C)C3)c2cc1C
InChIInChI=1S/C19H30N4O2/c1-14-7-18-19(8-15(14)2)23(13-20-18)10-16(24)9-22-5-6-25-17(12-22)11-21(3)4/h7-8,13,16-17,24H,5-6,9-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyASRMYLOWWUZSRF-IAGOWNOFSA-N
MW346.48 g/mol
LogP1.28
Rot. Bonds6

About (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol

(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (PubChem CID 95350368) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
PubChem CID95350368
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@H](O)CN3CCO[C@H](CN(C)C)C3)c2cc1C
InChIInChI=1S/C19H30N4O2/c1-14-7-18-19(8-15(14)2)23(13-20-18)10-16(24)9-22-5-6-25-17(12-22)11-21(3)4/h7-8,13,16-17,24H,5-6,9-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyASRMYLOWWUZSRF-IAGOWNOFSA-N
XLogP1.28
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
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CID 110932874
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 95330936
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
CID 95332227
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 97243193
(2S)-1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 99716189
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol
CID 47053529
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,6-dimethylbenzimidazol-1-yl)ethanol
CID 52516655
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 95097021
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (CID 95350368) is (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is Cc1cc2ncn(C[C@H](O)CN3CCO[C@H](CN(C)C)C3)c2cc1C.
What is the InChIKey of (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is ASRMYLOWWUZSRF-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-7-18-19(8-15(14)2)23(13-20-18)10-16(24)9-22-5-6-25-17(12-22)11-21(3)4/h7-8,13,16-17,24H,5-6,9-12H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 346.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 95350368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).