N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide

C20H22N4O2S — CID 10110453

IUPACN-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nc(NC(=O)c3cccs3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C20H22N4O2S/c1-24(14-6-3-2-4-7-14)19(26)13-9-10-15-16(12-13)22-20(21-15)23-18(25)17-8-5-11-27-17/h5,8-12,14H,2-4,6-7H2,1H3,(H2,21,22,23,25)
InChIKeyIMNPKIIYTUQSLC-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.28
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide

N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide (PubChem CID 10110453) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide
PubChem CID10110453
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2nc(NC(=O)c3cccs3)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C20H22N4O2S/c1-24(14-6-3-2-4-7-14)19(26)13-9-10-15-16(12-13)22-20(21-15)23-18(25)17-8-5-11-27-17/h5,8-12,14H,2-4,6-7H2,1H3,(H2,21,22,23,25)
InChIKeyIMNPKIIYTUQSLC-UHFFFAOYSA-N
XLogP4.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide (CID 10110453) is N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide is CN(C(=O)c1ccc2nc(NC(=O)c3cccs3)[nH]c2c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?
The InChIKey is IMNPKIIYTUQSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-24(14-6-3-2-4-7-14)19(26)13-9-10-15-16(12-13)22-20(21-15)23-18(25)17-8-5-11-27-17/h5,8-12,14H,2-4,6-7H2,1H3,(H2,21,22,23,25).
What are the key properties of N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide?
N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10110453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).