N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C20H17N5O3 — CID 139412646

IUPACN-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)no1
InChIInChI=1S/C20H17N5O3/c1-10-21-18(25-28-10)12-2-5-14-11(8-12)3-6-15(14)22-19(26)13-4-7-16-17(9-13)24-20(27)23-16/h2,4-5,7-9,15H,3,6H2,1H3,(H,22,26)(H2,23,24,27)/t15-/m1/s1
InChIKeyUVHIUHBVUTZSCX-OAHLLOKOSA-N
MW375.39 g/mol
LogP2.63
Rot. Bonds3

About N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 139412646) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID139412646
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)no1
InChIInChI=1S/C20H17N5O3/c1-10-21-18(25-28-10)12-2-5-14-11(8-12)3-6-15(14)22-19(26)13-4-7-16-17(9-13)24-20(27)23-16/h2,4-5,7-9,15H,3,6H2,1H3,(H,22,26)(H2,23,24,27)/t15-/m1/s1
InChIKeyUVHIUHBVUTZSCX-OAHLLOKOSA-N
XLogP2.63
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 139412646) is N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is Cc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)no1.
What is the InChIKey of N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is UVHIUHBVUTZSCX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-10-21-18(25-28-10)12-2-5-14-11(8-12)3-6-15(14)22-19(26)13-4-7-16-17(9-13)24-20(27)23-16/h2,4-5,7-9,15H,3,6H2,1H3,(H,22,26)(H2,23,24,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 139412646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).