N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide

C19H15N3O3 — CID 39964775

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H15N3O3/c1-11(17-21-14-7-3-4-8-15(14)22-17)20-18(23)13-10-12-6-2-5-9-16(12)25-19(13)24/h2-11H,1H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyRFEPGNDVBYKIIS-LLVKDONJSA-N
MW333.35 g/mol
LogP3.16
Rot. Bonds3

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 39964775) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID39964775
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H15N3O3/c1-11(17-21-14-7-3-4-8-15(14)22-17)20-18(23)13-10-12-6-2-5-9-16(12)25-19(13)24/h2-11H,1H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyRFEPGNDVBYKIIS-LLVKDONJSA-N
XLogP3.16
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106688409
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide (CID 39964775) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is RFEPGNDVBYKIIS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-11(17-21-14-7-3-4-8-15(14)22-17)20-18(23)13-10-12-6-2-5-9-16(12)25-19(13)24/h2-11H,1H3,(H,20,23)(H,21,22)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 39964775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).