N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C24H31N5O2S — CID 42030130

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C24H31N5O2S/c1-3-27(4-2)15-16-29-20-9-6-5-8-19(20)25-24(29)26-22(30)18-11-13-28(14-12-18)23(31)21-10-7-17-32-21/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,25,26,30)
InChIKeyNVRFXJQMYPNIPC-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.93
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 42030130) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID42030130
Molecular FormulaC24H31N5O2S
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C24H31N5O2S/c1-3-27(4-2)15-16-29-20-9-6-5-8-19(20)25-24(29)26-22(30)18-11-13-28(14-12-18)23(31)21-10-7-17-32-21/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,25,26,30)
InChIKeyNVRFXJQMYPNIPC-UHFFFAOYSA-N
XLogP3.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 51862019
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556521
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18289502
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 40604553
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224197
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 42030130) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCN(CC)CCn1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NVRFXJQMYPNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-3-27(4-2)15-16-29-20-9-6-5-8-19(20)25-24(29)26-22(30)18-11-13-28(14-12-18)23(31)21-10-7-17-32-21/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,25,26,30).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 42030130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).