N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide

C17H23N3O — CID 110765621

IUPACN-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-11(2)16-19-14-9-8-12(10-15(14)20-16)17(21)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZKNNJBAXJHNTBL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.75
Rot. Bonds3

About N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide

N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 110765621) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID110765621
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-11(2)16-19-14-9-8-12(10-15(14)20-16)17(21)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZKNNJBAXJHNTBL-UHFFFAOYSA-N
XLogP3.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 110765621) is N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(C)c1nc2ccc(C(=O)NC3CCCCC3)cc2[nH]1.
What is the InChIKey of N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is ZKNNJBAXJHNTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)16-19-14-9-8-12(10-15(14)20-16)17(21)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide?
N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).