1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate

C14H18N2O3 — CID 75521574

IUPAC1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate
SMILESCOCC(C)OC(=O)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H18N2O3/c1-9(8-18-4)19-14(17)11-5-6-13-12(7-11)15-10(2)16(13)3/h5-7,9H,8H2,1-4H3
InChIKeyJHJZCXDRCYXIMK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.07
Rot. Bonds4

About 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate

1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate (PubChem CID 75521574) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate
PubChem CID75521574
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate
SMILESCOCC(C)OC(=O)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H18N2O3/c1-9(8-18-4)19-14(17)11-5-6-13-12(7-11)15-10(2)16(13)3/h5-7,9H,8H2,1-4H3
InChIKeyJHJZCXDRCYXIMK-UHFFFAOYSA-N
XLogP2.07
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
N-[(2S)-1-methoxypropan-2-yl]-1,2-dimethylbenzimidazol-5-amine
CID 99699026
4-(1,2-dimethylbenzimidazol-5-yl)-4-oxobutanenitrile
CID 116862122
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 113363691
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 94809037
methyl 1-methyl-2-[[(2R)-3-methylbutan-2-yl]amino]benzimidazole-5-carboxylate
CID 69401976
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
1-methoxypropan-2-yl 4-tert-butylbenzoate
CID 90150933
1-methoxypropan-2-yl 3-iodobenzoate
CID 71145343
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
(1,2-dimethylbenzimidazol-5-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922620

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate (CID 75521574) is 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate is COCC(C)OC(=O)c1ccc2c(c1)nc(C)n2C.
What is the InChIKey of 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate?
The InChIKey is JHJZCXDRCYXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(8-18-4)19-14(17)11-5-6-13-12(7-11)15-10(2)16(13)3/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate?
1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate is sourced from PubChem (CID 75521574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).