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

C13H17N5O2 — CID 100664233

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

(5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100664233) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
• PubChem CID: 100664233
• Molecular Formula: C13H17N5O2
• Molecular Weight: 275.31 g/mol
• Exact Mass: 275.14
• IUPAC Name: (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
• SMILES: Cc1nc2c([nH]1)C[C@H](C(=O)NCc1nnc(C)o1)CC2
• InChI: InChI=1S/C13H17N5O2/c1-7-15-10-4-3-9(5-11(10)16-7)13(19)14-6-12-18-17-8(2)20-12/h9H,3-6H2,1-2H3,(H,14,19)(H,15,16)/t9-/m1/s1
• InChIKey: LEIKGMJTKCKFJU-SECBINFHSA-N
• XLogP: 0.83
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.31
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

The IUPAC name of (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100664233) is (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

The canonical SMILES for (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)C[C@H](C(=O)NCc1nnc(C)o1)CC2.

What is the InChIKey of (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

The InChIKey is LEIKGMJTKCKFJU-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-15-10-4-3-9(5-11(10)16-7)13(19)14-6-12-18-17-8(2)20-12/h9H,3-6H2,1-2H3,(H,14,19)(H,15,16)/t9-/m1/s1.

What are the key properties of (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?

(5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100664233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).