2-methoxy-1-methylbenzimidazole;propane

C12H18N2O — CID 160678842

IUPAC2-methoxy-1-methylbenzimidazole;propane
SMILESCCC.COc1nc2ccccc2n1C
InChIInChI=1S/C9H10N2O.C3H8/c1-11-8-6-4-3-5-7(8)10-9(11)12-2;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyRNWKQFATWAWSIO-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.00
Rot. Bonds1

About 2-methoxy-1-methylbenzimidazole;propane

2-methoxy-1-methylbenzimidazole;propane (PubChem CID 160678842) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methoxy-1-methylbenzimidazole;propane.

Molecular Properties

Compound Name2-methoxy-1-methylbenzimidazole;propane
PubChem CID160678842
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methoxy-1-methylbenzimidazole;propane
SMILESCCC.COc1nc2ccccc2n1C
InChIInChI=1S/C9H10N2O.C3H8/c1-11-8-6-4-3-5-7(8)10-9(11)12-2;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyRNWKQFATWAWSIO-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-methoxy-3-methylimidazo[4,5-b]pyridine
CID 58577407
2-ethyl-3-[4-(1-methylbenzimidazol-2-yl)oxyphenyl]pyrazolo[4,3-b]pyridine
CID 86704971
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
CID 140577195
CID 140577195
2-ethoxy-N,N-dimethylbenzimidazol-1-amine
CID 67743844
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
(1R,2R)-1-(4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 927352
3-[1-(4-methoxyphenyl)propyl]-1-methylquinoxalin-2-one
CID 162415481
2-[(2S)-1-(4-bromophenoxy)propan-2-yl]oxy-1-methylbenzimidazole
CID 143895104

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylbenzimidazole;propane?
The IUPAC name of 2-methoxy-1-methylbenzimidazole;propane (CID 160678842) is 2-methoxy-1-methylbenzimidazole;propane.
What is the SMILES notation for 2-methoxy-1-methylbenzimidazole;propane?
The canonical SMILES for 2-methoxy-1-methylbenzimidazole;propane is CCC.COc1nc2ccccc2n1C.
What is the InChIKey of 2-methoxy-1-methylbenzimidazole;propane?
The InChIKey is RNWKQFATWAWSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C3H8/c1-11-8-6-4-3-5-7(8)10-9(11)12-2;1-3-2/h3-6H,1-2H3;3H2,1-2H3.
What are the key properties of 2-methoxy-1-methylbenzimidazole;propane?
2-methoxy-1-methylbenzimidazole;propane has a molecular weight of 206.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylbenzimidazole;propane is sourced from PubChem (CID 160678842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).