1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C20H24N4O4 — CID 70710017

IUPAC1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)on1
InChIInChI=1S/C20H24N4O4/c1-12-9-16(28-22-12)11-23(2)19(26)13-3-8-18-17(10-13)21-20(27)24(18)14-4-6-15(25)7-5-14/h3,8-10,14-15,25H,4-7,11H2,1-2H3,(H,21,27)
InChIKeyPOQFSALDFYVNTB-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.37
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70710017) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70710017
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)on1
InChIInChI=1S/C20H24N4O4/c1-12-9-16(28-22-12)11-23(2)19(26)13-3-8-18-17(10-13)21-20(27)24(18)14-4-6-15(25)7-5-14/h3,8-10,14-15,25H,4-7,11H2,1-2H3,(H,21,27)
InChIKeyPOQFSALDFYVNTB-UHFFFAOYSA-N
XLogP2.37
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70710017) is 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is Cc1cc(CN(C)C(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)on1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is POQFSALDFYVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12-9-16(28-22-12)11-23(2)19(26)13-3-8-18-17(10-13)21-20(27)24(18)14-4-6-15(25)7-5-14/h3,8-10,14-15,25H,4-7,11H2,1-2H3,(H,21,27).
What are the key properties of 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70710017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).