1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide

C21H24N4O2 — CID 22558089

IUPAC1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O2/c22-20(26)15-6-11-19-18(12-15)24-21(27)25(19)17-9-7-16(8-10-17)23-13-14-4-2-1-3-5-14/h1-6,11-12,16-17,23H,7-10,13H2,(H2,22,26)(H,24,27)
InChIKeyJOQMZORIMNMWNO-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.70
Rot. Bonds5

About 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 22558089) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID22558089
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O2/c22-20(26)15-6-11-19-18(12-15)24-21(27)25(19)17-9-7-16(8-10-17)23-13-14-4-2-1-3-5-14/h1-6,11-12,16-17,23H,7-10,13H2,(H2,22,26)(H,24,27)
InChIKeyJOQMZORIMNMWNO-UHFFFAOYSA-N
XLogP2.70
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 22558089) is 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCC(NCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is JOQMZORIMNMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-20(26)15-6-11-19-18(12-15)24-21(27)25(19)17-9-7-16(8-10-17)23-13-14-4-2-1-3-5-14/h1-6,11-12,16-17,23H,7-10,13H2,(H2,22,26)(H,24,27).
What are the key properties of 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 22558089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).