N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C18H26N4OS — CID 119942310

IUPACN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C18H26N4OS/c1-12(2)22-16-7-5-4-6-15(16)21-18(22)13(3)20-17(23)10-14-11-24-9-8-19-14/h4-7,12-14,19H,8-11H2,1-3H3,(H,20,23)
InChIKeyLHPQJLWTKHXONM-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.89
Rot. Bonds5

About N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942310) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942310
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C18H26N4OS/c1-12(2)22-16-7-5-4-6-15(16)21-18(22)13(3)20-17(23)10-14-11-24-9-8-19-14/h4-7,12-14,19H,8-11H2,1-3H3,(H,20,23)
InChIKeyLHPQJLWTKHXONM-UHFFFAOYSA-N
XLogP2.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937796
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940587
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941326
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939022
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119942310) is N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is CC(NC(=O)CC1CSCCN1)c1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is LHPQJLWTKHXONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-12(2)22-16-7-5-4-6-15(16)21-18(22)13(3)20-17(23)10-14-11-24-9-8-19-14/h4-7,12-14,19H,8-11H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 346.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).