7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide

C23H27N3O3 — CID 71206688

IUPAC7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide
SMILESCc1nc2c(OC3Cc4ccccc4C3)cc(C(=O)N(C)[C@H](C)CO)cc2n1C
InChIInChI=1S/C23H27N3O3/c1-14(13-27)25(3)23(28)18-11-20-22(24-15(2)26(20)4)21(12-18)29-19-9-16-7-5-6-8-17(16)10-19/h5-8,11-12,14,19,27H,9-10,13H2,1-4H3/t14-/m1/s1
InChIKeyMUAWOJLWNRTYKH-CQSZACIVSA-N
MW393.49 g/mol
LogP2.88
Rot. Bonds5

About 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide

7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide (PubChem CID 71206688) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide
PubChem CID71206688
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide
SMILESCc1nc2c(OC3Cc4ccccc4C3)cc(C(=O)N(C)[C@H](C)CO)cc2n1C
InChIInChI=1S/C23H27N3O3/c1-14(13-27)25(3)23(28)18-11-20-22(24-15(2)26(20)4)21(12-18)29-19-9-16-7-5-6-8-17(16)10-19/h5-8,11-12,14,19,27H,9-10,13H2,1-4H3/t14-/m1/s1
InChIKeyMUAWOJLWNRTYKH-CQSZACIVSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide (CID 71206688) is 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide is Cc1nc2c(OC3Cc4ccccc4C3)cc(C(=O)N(C)[C@H](C)CO)cc2n1C.
What is the InChIKey of 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
The InChIKey is MUAWOJLWNRTYKH-CQSZACIVSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14(13-27)25(3)23(28)18-11-20-22(24-15(2)26(20)4)21(12-18)29-19-9-16-7-5-6-8-17(16)10-19/h5-8,11-12,14,19,27H,9-10,13H2,1-4H3/t14-/m1/s1.
What are the key properties of 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-inden-2-yloxy)-N-[(2R)-1-hydroxypropan-2-yl]-N,2,3-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 71206688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).