N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C23H28N4O2S — CID 10194689

IUPACN-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C23H28N4O2S/c1-3-13-27-19-12-11-16(22(29)26(2)17-8-5-4-6-9-17)15-18(19)24-23(27)25-21(28)20-10-7-14-30-20/h7,10-12,14-15,17H,3-6,8-9,13H2,1-2H3,(H,24,25,28)
InChIKeyINHGUDXXUIVKLX-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.16
Rot. Bonds6

About N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10194689) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10194689
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C23H28N4O2S/c1-3-13-27-19-12-11-16(22(29)26(2)17-8-5-4-6-9-17)15-18(19)24-23(27)25-21(28)20-10-7-14-30-20/h7,10-12,14-15,17H,3-6,8-9,13H2,1-2H3,(H,24,25,28)
InChIKeyINHGUDXXUIVKLX-UHFFFAOYSA-N
XLogP5.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 10194689) is N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is INHGUDXXUIVKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-3-13-27-19-12-11-16(22(29)26(2)17-8-5-4-6-9-17)15-18(19)24-23(27)25-21(28)20-10-7-14-30-20/h7,10-12,14-15,17H,3-6,8-9,13H2,1-2H3,(H,24,25,28).
What are the key properties of N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10194689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).