N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide

C26H33N5O3S — CID 3229847

IUPACN,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H33N5O3S/c1-4-28(5-2)25(33)19-35-26-27-20-10-6-7-11-21(20)31(26)18-24(32)30-16-14-29(15-17-30)22-12-8-9-13-23(22)34-3/h6-13H,4-5,14-19H2,1-3H3
InChIKeyXQXVQURQRPNXJY-UHFFFAOYSA-N
MW495.65 g/mol
LogP3.35
Rot. Bonds9

About N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide

N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide (PubChem CID 3229847) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
PubChem CID3229847
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC NameN,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H33N5O3S/c1-4-28(5-2)25(33)19-35-26-27-20-10-6-7-11-21(20)31(26)18-24(32)30-16-14-29(15-17-30)22-12-8-9-13-23(22)34-3/h6-13H,4-5,14-19H2,1-3H3
InChIKeyXQXVQURQRPNXJY-UHFFFAOYSA-N
XLogP3.35
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 40673693
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 4557545
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethylacetamide
CID 1470365
N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 43814509
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 40688694
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 34865373
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 24567573
N-(2,5-dimethoxyphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3229869
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide (CID 3229847) is N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide is CCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is XQXVQURQRPNXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-4-28(5-2)25(33)19-35-26-27-20-10-6-7-11-21(20)31(26)18-24(32)30-16-14-29(15-17-30)22-12-8-9-13-23(22)34-3/h6-13H,4-5,14-19H2,1-3H3.
What are the key properties of N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide?
N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 495.65 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3229847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).