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

C23H25N3O2 — CID 15602917

IUPAC(8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)NC3CC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C23H25N3O2/c1-13-6-4-5-7-16(13)20-11-10-17-18(23(27)25-15-8-9-15)12-19-21(22(17)28-20)24-14(2)26(19)3/h4-7,12,15,20H,8-11H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyHKOCDPDGHOUFCU-FQEVSTJZSA-N
MW375.47 g/mol
LogP4.15
Rot. Bonds3

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

(8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (PubChem CID 15602917) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
PubChem CID15602917
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
SMILESCc1ccccc1[C@@H]1CCc2c(C(=O)NC3CC3)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C23H25N3O2/c1-13-6-4-5-7-16(13)20-11-10-17-18(23(27)25-15-8-9-15)12-19-21(22(17)28-20)24-14(2)26(19)3/h4-7,12,15,20H,8-11H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyHKOCDPDGHOUFCU-FQEVSTJZSA-N
XLogP4.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The IUPAC name of (8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide (CID 15602917) is (8S)-N-cyclopropyl-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-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The canonical SMILES for (8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is Cc1ccccc1[C@@H]1CCc2c(C(=O)NC3CC3)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of (8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
The InChIKey is HKOCDPDGHOUFCU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-13-6-4-5-7-16(13)20-11-10-17-18(23(27)25-15-8-9-15)12-19-21(22(17)28-20)24-14(2)26(19)3/h4-7,12,15,20H,8-11H2,1-3H3,(H,25,27)/t20-/m0/s1.
What are the key properties of (8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide?
(8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-cyclopropyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 15602917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).