(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

C18H24N6O — CID 96512374

IUPAC(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1
InChIInChI=1S/C18H24N6O/c1-12(2)17-20-18(22-21-17)15-10-24(8-9-25-15)11-16-19-13-6-4-5-7-14(13)23(16)3/h4-7,12,15H,8-11H2,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyOMDJTUNZMWYUGM-OAHLLOKOSA-N
MW340.43 g/mol
LogP2.39
Rot. Bonds4

About (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 96512374) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID96512374
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1
InChIInChI=1S/C18H24N6O/c1-12(2)17-20-18(22-21-17)15-10-24(8-9-25-15)11-16-19-13-6-4-5-7-14(13)23(16)3/h4-7,12,15H,8-11H2,1-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyOMDJTUNZMWYUGM-OAHLLOKOSA-N
XLogP2.39
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928079
4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 166305341
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039
6-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124959514
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512363
3-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959757
3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959756
(2S)-4-[2-[(S)-phenylsulfinyl]ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 98775051
1,3-dimethyl-6-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 96512438
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
CID 124942629
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 96512374) is (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)c1n[nH]c([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1.
What is the InChIKey of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is OMDJTUNZMWYUGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)17-20-18(22-21-17)15-10-24(8-9-25-15)11-16-19-13-6-4-5-7-14(13)23(16)3/h4-7,12,15H,8-11H2,1-3H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 340.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 96512374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).