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

C12H15N5O2 — CID 91628350

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nnc(CNC(=O)C2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C12H15N5O2/c1-7-16-17-11(19-7)5-13-12(18)8-2-3-9-10(4-8)15-6-14-9/h6,8H,2-5H2,1H3,(H,13,18)(H,14,15)
InChIKeyATTGHUSMYOXFCJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.52
Rot. Bonds3

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628350) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628350
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nnc(CNC(=O)C2CCc3nc[nH]c3C2)o1
InChIInChI=1S/C12H15N5O2/c1-7-16-17-11(19-7)5-13-12(18)8-2-3-9-10(4-8)15-6-14-9/h6,8H,2-5H2,1H3,(H,13,18)(H,14,15)
InChIKeyATTGHUSMYOXFCJ-UHFFFAOYSA-N
XLogP0.52
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628350) is 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 N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nnc(CNC(=O)C2CCc3nc[nH]c3C2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is ATTGHUSMYOXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-16-17-11(19-7)5-13-12(18)8-2-3-9-10(4-8)15-6-14-9/h6,8H,2-5H2,1H3,(H,13,18)(H,14,15).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).