2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole

C12H16N2O — CID 143794586

IUPAC2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
SMILESCOC[C@H](C)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-8-4-5-10-11(6-8)14-12(13-10)9(2)7-15-3/h4-6,9H,7H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyFUNLYMNCDMNGML-VIFPVBQESA-N
MW204.27 g/mol
LogP2.62
Rot. Bonds3

About 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole

2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole (PubChem CID 143794586) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
PubChem CID143794586
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
SMILESCOC[C@H](C)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-8-4-5-10-11(6-8)14-12(13-10)9(2)7-15-3/h4-6,9H,7H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyFUNLYMNCDMNGML-VIFPVBQESA-N
XLogP2.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
2-[(1S)-1-(2,6-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 27408381
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
2-[1-(3,4-dimethylphenoxy)ethyl]-6-methyl-1H-benzimidazole
CID 46264663
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336531

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole (CID 143794586) is 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole is COC[C@H](C)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole?
The InChIKey is FUNLYMNCDMNGML-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-4-5-10-11(6-8)14-12(13-10)9(2)7-15-3/h4-6,9H,7H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole?
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole has a molecular weight of 204.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 143794586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).