(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol

C15H21N3O2 — CID 133123786

IUPAC(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
SMILESCCn1c(CN(C)[C@@H]2COC[C@H]2O)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-18-12-7-5-4-6-11(12)16-15(18)8-17(2)13-9-20-10-14(13)19/h4-7,13-14,19H,3,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyIDPOZCMKYIFKKP-ZIAGYGMSSA-N
MW275.35 g/mol
LogP1.25
Rot. Bonds4

About (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol

(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol (PubChem CID 133123786) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
PubChem CID133123786
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol
SMILESCCn1c(CN(C)[C@@H]2COC[C@H]2O)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-18-12-7-5-4-6-11(12)16-15(18)8-17(2)13-9-20-10-14(13)19/h4-7,13-14,19H,3,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyIDPOZCMKYIFKKP-ZIAGYGMSSA-N
XLogP1.25
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-4-(1-ethylbenzimidazol-2-yl)butanamide
CID 155996062
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline;dichloronickel
CID 139241229
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 84585943
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
3-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750884
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
1-ethyl-2-pentylbenzimidazole
CID 3463966
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol (CID 133123786) is (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol is CCn1c(CN(C)[C@@H]2COC[C@H]2O)nc2ccccc21.
What is the InChIKey of (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol?
The InChIKey is IDPOZCMKYIFKKP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18-12-7-5-4-6-11(12)16-15(18)8-17(2)13-9-20-10-14(13)19/h4-7,13-14,19H,3,8-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol?
(3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol has a molecular weight of 275.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(1-ethylbenzimidazol-2-yl)methyl-methylamino]oxolan-3-ol is sourced from PubChem (CID 133123786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).