(8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

C24H27N3O2 — CID 24992365

IUPAC(8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)NCC3CC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C24H27N3O2/c1-14-6-4-5-7-17(14)21-11-10-18-19(24(28)25-13-16-8-9-16)12-20-22(23(18)29-21)26-15(2)27(20)3/h4-7,12,16,21H,8-11,13H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeySPZWXZUOIPQHBF-NRFANRHFSA-N
MW389.50 g/mol
LogP4.40
Rot. Bonds4

About (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide

(8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 24992365) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID24992365
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)NCC3CC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C24H27N3O2/c1-14-6-4-5-7-17(14)21-11-10-18-19(24(28)25-13-16-8-9-16)12-20-22(23(18)29-21)26-15(2)27(20)3/h4-7,12,16,21H,8-11,13H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeySPZWXZUOIPQHBF-NRFANRHFSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 24992365) is (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.
What is the SMILES notation for (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is Cc1ccccc1[C@@H]1CCc2c(C(=O)NCC3CC3)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is SPZWXZUOIPQHBF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-14-6-4-5-7-17(14)21-11-10-18-19(24(28)25-13-16-8-9-16)12-20-22(23(18)29-21)26-15(2)27(20)3/h4-7,12,16,21H,8-11,13H2,1-3H3,(H,25,28)/t21-/m0/s1.
What are the key properties of (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(cyclopropylmethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 24992365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).