N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C24H29N5O3S — CID 10151831

IUPACN-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCNC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C24H29N5O3S/c1-25-21(30)12-13-29-19-11-10-16(23(32)28(2)17-7-4-3-5-8-17)15-18(19)26-24(29)27-22(31)20-9-6-14-33-20/h6,9-11,14-15,17H,3-5,7-8,12-13H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyLZDRAGWKPJNEQC-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.89
Rot. Bonds7

About N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10151831) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10151831
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCNC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C24H29N5O3S/c1-25-21(30)12-13-29-19-11-10-16(23(32)28(2)17-7-4-3-5-8-17)15-18(19)26-24(29)27-22(31)20-9-6-14-33-20/h6,9-11,14-15,17H,3-5,7-8,12-13H2,1-2H3,(H,25,30)(H,26,27,31)
InChIKeyLZDRAGWKPJNEQC-UHFFFAOYSA-N
XLogP3.89
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 10151831) is N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CNC(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.
What is the InChIKey of N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is LZDRAGWKPJNEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-25-21(30)12-13-29-19-11-10-16(23(32)28(2)17-7-4-3-5-8-17)15-18(19)26-24(29)27-22(31)20-9-6-14-33-20/h6,9-11,14-15,17H,3-5,7-8,12-13H2,1-2H3,(H,25,30)(H,26,27,31).
What are the key properties of N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-[3-(methylamino)-3-oxopropyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10151831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).