N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

C24H26N4OS — CID 112794338

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCN(C)C(CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccs1
InChIInChI=1S/C24H26N4OS/c1-27(2)21(22-13-8-16-30-22)17-25-24(29)15-14-23-26-19-11-6-7-12-20(19)28(23)18-9-4-3-5-10-18/h3-13,16,21H,14-15,17H2,1-2H3,(H,25,29)
InChIKeyCPKDXWAQDGIWNI-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.44
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 112794338) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID112794338
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCN(C)C(CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccs1
InChIInChI=1S/C24H26N4OS/c1-27(2)21(22-13-8-16-30-22)17-25-24(29)15-14-23-26-19-11-6-7-12-20(19)28(23)18-9-4-3-5-10-18/h3-13,16,21H,14-15,17H2,1-2H3,(H,25,29)
InChIKeyCPKDXWAQDGIWNI-UHFFFAOYSA-N
XLogP4.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-phenylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide
CID 112765124
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
CID 18161704
N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 109388365
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 78772656

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 112794338) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is CN(C)C(CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is CPKDXWAQDGIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-27(2)21(22-13-8-16-30-22)17-25-24(29)15-14-23-26-19-11-6-7-12-20(19)28(23)18-9-4-3-5-10-18/h3-13,16,21H,14-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 418.57 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 112794338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).