1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one

C21H27N3O3 — CID 51497302

IUPAC1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one
SMILESCc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)o1
InChIInChI=1S/C21H27N3O3/c1-15-6-8-18(27-15)14-24(13-17-5-4-10-26-17)12-16-7-9-19-20(11-16)23(3)21(25)22(19)2/h6-9,11,17H,4-5,10,12-14H2,1-3H3/t17-/m1/s1
InChIKeyQFGHUKJTCWKDGH-QGZVFWFLSA-N
MW369.47 g/mol
LogP2.96
Rot. Bonds6

About 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one

1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one (PubChem CID 51497302) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one
PubChem CID51497302
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one
SMILESCc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)o1
InChIInChI=1S/C21H27N3O3/c1-15-6-8-18(27-15)14-24(13-17-5-4-10-26-17)12-16-7-9-19-20(11-16)23(3)21(25)22(19)2/h6-9,11,17H,4-5,10,12-14H2,1-3H3/t17-/m1/s1
InChIKeyQFGHUKJTCWKDGH-QGZVFWFLSA-N
XLogP2.96
TPSA52.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one with MolForge

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Related Compounds

N-[(2-ethylpyrimidin-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962857
N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51495228
2-[(5-methylfuran-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 24713986
1,3-dimethyl-6-[[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]pyrimidine-2,4-dione
CID 40881767
N-(1,3-benzodioxol-5-ylmethyl)-2-[dimethylcarbamoyl(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4197515
bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
1-(cyclobutylmethyl)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(oxolan-2-ylmethyl)urea
CID 72937240
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541197
4-[5-[[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 93193997
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
(2R)-1-(4-chlorophenoxy)-3-[(5-methylfuran-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 98628192
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5052075

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one (CID 51497302) is 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one is Cc1ccc(CN(Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)o1.
What is the InChIKey of 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one?
The InChIKey is QFGHUKJTCWKDGH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-6-8-18(27-15)14-24(13-17-5-4-10-26-17)12-16-7-9-19-20(11-16)23(3)21(25)22(19)2/h6-9,11,17H,4-5,10,12-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one?
1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one has a molecular weight of 369.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(5-methylfuran-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzimidazol-2-one is sourced from PubChem (CID 51497302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).