N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C24H30N4O3S — CID 10161344

IUPACN-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCO)C1CCCCC1
InChIInChI=1S/C24H30N4O3S/c1-27(18-8-3-2-4-9-18)23(31)17-11-12-20-19(16-17)25-24(28(20)13-5-6-14-29)26-22(30)21-10-7-15-32-21/h7,10-12,15-16,18,29H,2-6,8-9,13-14H2,1H3,(H,25,26,30)
InChIKeyDDHAYBDYGVBDMH-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.53
Rot. Bonds8

About N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 10161344) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID10161344
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCO)C1CCCCC1
InChIInChI=1S/C24H30N4O3S/c1-27(18-8-3-2-4-9-18)23(31)17-11-12-20-19(16-17)25-24(28(20)13-5-6-14-29)26-22(30)21-10-7-15-32-21/h7,10-12,15-16,18,29H,2-6,8-9,13-14H2,1H3,(H,25,26,30)
InChIKeyDDHAYBDYGVBDMH-UHFFFAOYSA-N
XLogP4.53
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Prn-694
CID 90044055
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenylthiophene-2-carboxamide
CID 11341428
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-5-cyanothiophene-2-carboxamide
CID 25190520
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-acetylthiophene-2-carboxamide
CID 25190522
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrrolidin-1-yl)thiophene-2-carboxamide
CID 25190536
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperidin-1-yl)thiophene-2-carboxamide
CID 25190537
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperazin-1-yl)thiophene-2-carboxamide
CID 25190538
Cmf-019
CID 73442763
5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277578
5-(difluoromethyl)-N-[5-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277599
5-(2-oxo-1H-pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 134277617

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 10161344) is N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is DDHAYBDYGVBDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-27(18-8-3-2-4-9-18)23(31)17-11-12-20-19(16-17)25-24(28(20)13-5-6-14-29)26-22(30)21-10-7-15-32-21/h7,10-12,15-16,18,29H,2-6,8-9,13-14H2,1H3,(H,25,26,30).
What are the key properties of N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 454.60 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-hydroxybutyl)-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 10161344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).