(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C20H19N3O2 — CID 97218717

IUPAC(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1nccn1Cc1cccc(NC(=O)[C@H]2COc3ccccc32)c1
InChIInChI=1S/C20H19N3O2/c1-14-21-9-10-23(14)12-15-5-4-6-16(11-15)22-20(24)18-13-25-19-8-3-2-7-17(18)19/h2-11,18H,12-13H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyULTRGPLPTRXJBI-SFHVURJKSA-N
MW333.39 g/mol
LogP3.35
Rot. Bonds4

About (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97218717) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97218717
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1nccn1Cc1cccc(NC(=O)[C@H]2COc3ccccc32)c1
InChIInChI=1S/C20H19N3O2/c1-14-21-9-10-23(14)12-15-5-4-6-16(11-15)22-20(24)18-13-25-19-8-3-2-7-17(18)19/h2-11,18H,12-13H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyULTRGPLPTRXJBI-SFHVURJKSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-1-[[3-(2,3-dihydro-1-benzofuran-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 72705785
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2-methyl-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-3-methylsulfonylpropanamide
CID 84585604
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
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N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 119438483
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 166241451
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
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N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
4-(5-amino-3-methylpyrazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 46974322
1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97218717) is (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide is Cc1nccn1Cc1cccc(NC(=O)[C@H]2COc3ccccc32)c1.
What is the InChIKey of (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is ULTRGPLPTRXJBI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-21-9-10-23(14)12-15-5-4-6-16(11-15)22-20(24)18-13-25-19-8-3-2-7-17(18)19/h2-11,18H,12-13H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97218717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).