(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H17N3O2 — CID 26689467

IUPAC(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C22H17N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-12,20H,13H2,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyAXLISGBPRXNEGK-HXUWFJFHSA-N
MW355.40 g/mol
LogP4.17
Rot. Bonds3

About (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26689467) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26689467
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C22H17N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-12,20H,13H2,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyAXLISGBPRXNEGK-HXUWFJFHSA-N
XLogP4.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 58310844
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040998
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41036911
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
N-[2-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4172031
(2R)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076169
(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076172
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26689467) is (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is AXLISGBPRXNEGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-22(20-13-15-5-1-4-8-19(15)27-20)23-16-11-9-14(10-12-16)21-24-17-6-2-3-7-18(17)25-21/h1-12,20H,13H2,(H,23,26)(H,24,25)/t20-/m1/s1.
What are the key properties of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26689467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).