N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide

C20H17N3O3 — CID 21008809

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3nc4ccccc4[nH]3)cc(=O)c2c1
InChIInChI=1S/C20H17N3O3/c1-2-12-7-8-17-13(9-12)16(24)10-18(26-17)20(25)21-11-19-22-14-5-3-4-6-15(14)23-19/h3-10H,2,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyNFAFVKGYTQBRHW-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.16
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide (PubChem CID 21008809) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide
PubChem CID21008809
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCc3nc4ccccc4[nH]3)cc(=O)c2c1
InChIInChI=1S/C20H17N3O3/c1-2-12-7-8-17-13(9-12)16(24)10-18(26-17)20(25)21-11-19-22-14-5-3-4-6-15(14)23-19/h3-10H,2,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyNFAFVKGYTQBRHW-UHFFFAOYSA-N
XLogP3.16
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide (CID 21008809) is N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide is CCc1ccc2oc(C(=O)NCc3nc4ccccc4[nH]3)cc(=O)c2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide?
The InChIKey is NFAFVKGYTQBRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-2-12-7-8-17-13(9-12)16(24)10-18(26-17)20(25)21-11-19-22-14-5-3-4-6-15(14)23-19/h3-10H,2,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 21008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).