[(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol

C20H23N3O2 — CID 146099054

IUPAC[(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol
SMILESCC1Cc2cc(-c3ccc(CNC4=NC[C@@H](CO)N4)cc3)ccc2O1
InChIInChI=1S/C20H23N3O2/c1-13-8-17-9-16(6-7-19(17)25-13)15-4-2-14(3-5-15)10-21-20-22-11-18(12-24)23-20/h2-7,9,13,18,24H,8,10-12H2,1H3,(H2,21,22,23)/t13?,18-/m0/s1
InChIKeyRBIAWDHKCHKJJU-UWBLVGDVSA-N
MW337.42 g/mol
LogP2.09
Rot. Bonds4

About [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol

[(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol (PubChem CID 146099054) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol
PubChem CID146099054
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name[(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol
SMILESCC1Cc2cc(-c3ccc(CNC4=NC[C@@H](CO)N4)cc3)ccc2O1
InChIInChI=1S/C20H23N3O2/c1-13-8-17-9-16(6-7-19(17)25-13)15-4-2-14(3-5-15)10-21-20-22-11-18(12-24)23-20/h2-7,9,13,18,24H,8,10-12H2,1H3,(H2,21,22,23)/t13?,18-/m0/s1
InChIKeyRBIAWDHKCHKJJU-UWBLVGDVSA-N
XLogP2.09
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol with MolForge

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Related Compounds

1,1-difluoro-3-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]propan-2-ol
CID 167927492
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
N-[[2-fluoro-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine
CID 61033037
1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 166185798
N-[[2-fluoro-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]ethanamine
CID 61033173
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
2-methoxy-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-phenylethanesulfonamide
CID 167850357
1-[2-methoxy-5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
CID 61033301
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
N-[[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]cyclopropanamine
CID 61032911
N-methyl-2-[4-methyl-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]acetamide
CID 170508487
3-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 79837439

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol?
The IUPAC name of [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol (CID 146099054) is [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol?
The canonical SMILES for [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol is CC1Cc2cc(-c3ccc(CNC4=NC[C@@H](CO)N4)cc3)ccc2O1.
What is the InChIKey of [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol?
The InChIKey is RBIAWDHKCHKJJU-UWBLVGDVSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-8-17-9-16(6-7-19(17)25-13)15-4-2-14(3-5-15)10-21-20-22-11-18(12-24)23-20/h2-7,9,13,18,24H,8,10-12H2,1H3,(H2,21,22,23)/t13?,18-/m0/s1.
What are the key properties of [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol?
[(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol has a molecular weight of 337.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4,5-dihydro-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 146099054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).