N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C28H36N4O2S — CID 16975715

IUPACN-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)c1cccs1
InChIInChI=1S/C28H36N4O2S/c33-27(32(21-10-3-1-4-11-21)22-12-5-2-6-13-22)20-31-24-15-8-7-14-23(24)30-26(31)17-18-29-28(34)25-16-9-19-35-25/h7-9,14-16,19,21-22H,1-6,10-13,17-18,20H2,(H,29,34)
InChIKeySDSUFRGOIYYLDO-UHFFFAOYSA-N
MW492.69 g/mol
LogP5.56
Rot. Bonds8

About N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 16975715) has the molecular formula C28H36N4O2S and a molecular weight of 492.69 g/mol. Its IUPAC name is N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID16975715
Molecular FormulaC28H36N4O2S
Molecular Weight492.69 g/mol
Exact Mass492.26
IUPAC NameN-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)c1cccs1
InChIInChI=1S/C28H36N4O2S/c33-27(32(21-10-3-1-4-11-21)22-12-5-2-6-13-22)20-31-24-15-8-7-14-23(24)30-26(31)17-18-29-28(34)25-16-9-19-35-25/h7-9,14-16,19,21-22H,1-6,10-13,17-18,20H2,(H,29,34)
InChIKeySDSUFRGOIYYLDO-UHFFFAOYSA-N
XLogP5.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.69
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979223
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973861
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982163
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994908
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975843
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994918
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
N-[3-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985663

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 16975715) is N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1nc2ccccc2n1CC(=O)N(C1CCCCC1)C1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is SDSUFRGOIYYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2S/c33-27(32(21-10-3-1-4-11-21)22-12-5-2-6-13-22)20-31-24-15-8-7-14-23(24)30-26(31)17-18-29-28(34)25-16-9-19-35-25/h7-9,14-16,19,21-22H,1-6,10-13,17-18,20H2,(H,29,34).
What are the key properties of N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 492.69 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16975715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).