(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C15H21N5O2 — CID 129489325

IUPAC(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)no1
InChIInChI=1S/C15H21N5O2/c1-8(2)14-18-11-5-4-10(6-12(11)19-14)15(21)16-7-13-17-9(3)22-20-13/h8,10H,4-7H2,1-3H3,(H,16,21)(H,18,19)/t10-/m0/s1
InChIKeyLMPNWPYOMQJRBJ-JTQLQIEISA-N
MW303.37 g/mol
LogP1.65
Rot. Bonds4

About (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 129489325) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID129489325
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)no1
InChIInChI=1S/C15H21N5O2/c1-8(2)14-18-11-5-4-10(6-12(11)19-14)15(21)16-7-13-17-9(3)22-20-13/h8,10H,4-7H2,1-3H3,(H,16,21)(H,18,19)/t10-/m0/s1
InChIKeyLMPNWPYOMQJRBJ-JTQLQIEISA-N
XLogP1.65
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 129489325) is (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc(CNC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)no1.
What is the InChIKey of (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is LMPNWPYOMQJRBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O2/c1-8(2)14-18-11-5-4-10(6-12(11)19-14)15(21)16-7-13-17-9(3)22-20-13/h8,10H,4-7H2,1-3H3,(H,16,21)(H,18,19)/t10-/m0/s1.
What are the key properties of (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 129489325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).