(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide

C19H16N4O2 — CID 97220819

IUPAC(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2o1
InChIInChI=1S/C19H16N4O2/c1-13(17-10-14-4-2-3-5-16(14)25-17)19(24)22-15-6-7-18(21-11-15)23-9-8-20-12-23/h2-13H,1H3,(H,22,24)/t13-/m0/s1
InChIKeyXFCVDAUSPKUHNE-ZDUSSCGKSA-N
MW332.36 g/mol
LogP3.76
Rot. Bonds4

About (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide

(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide (PubChem CID 97220819) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
PubChem CID97220819
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2o1
InChIInChI=1S/C19H16N4O2/c1-13(17-10-14-4-2-3-5-16(14)25-17)19(24)22-15-6-7-18(21-11-15)23-9-8-20-12-23/h2-13H,1H3,(H,22,24)/t13-/m0/s1
InChIKeyXFCVDAUSPKUHNE-ZDUSSCGKSA-N
XLogP3.76
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 35437680
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 91653293
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
2-[4-[2-(1-benzofuran-2-yl)propanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697344
7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 46453605
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893
2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 75424281
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide (CID 97220819) is (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide is C[C@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2o1.
What is the InChIKey of (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is XFCVDAUSPKUHNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13(17-10-14-4-2-3-5-16(14)25-17)19(24)22-15-6-7-18(21-11-15)23-9-8-20-12-23/h2-13H,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide?
(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 332.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 97220819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).