(1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 124790782) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	124790782
Molecular Formula	C22H26N4O4
Molecular Weight	410.47 g/mol
Exact Mass	410.20
IUPAC Name	(1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	CCn1c(CNC(=O)[C@@H]2[C@H]3C(=O)N(CCOC)C[C@@]34C=C[C@H]2O4)nc2ccccc21
InChI	InChI=1S/C22H26N4O4/c1-3-26-15-7-5-4-6-14(15)24-17(26)12-23-20(27)18-16-8-9-22(30-16)13-25(10-11-29-2)21(28)19(18)22/h4-9,16,18-19H,3,10-13H2,1-2H3,(H,23,27)/t16-,18+,19+,22+/m1/s1
InChIKey	KLTHQYGJHNNPKH-ONZODILHSA-N
XLogP	1.10
TPSA	85.69 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 124790782) is (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CCn1c(CNC(=O)[C@@H]2[C@H]3C(=O)N(CCOC)C[C@@]34C=C[C@H]2O4)nc2ccccc21.

What is the InChIKey of (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is KLTHQYGJHNNPKH-ONZODILHSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-3-26-15-7-5-4-6-14(15)24-17(26)12-23-20(27)18-16-8-9-22(30-16)13-25(10-11-29-2)21(28)19(18)22/h4-9,16,18-19H,3,10-13H2,1-2H3,(H,23,27)/t16-,18+,19+,22+/m1/s1.

What are the key properties of (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5R,6R,7R)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-methoxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 124790782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).