2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide

C16H21N3OS — CID 90648634

IUPAC2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCn1c(CCNC(=O)CSCC2CC2)nc2ccccc21
InChIInChI=1S/C16H21N3OS/c1-19-14-5-3-2-4-13(14)18-15(19)8-9-17-16(20)11-21-10-12-6-7-12/h2-5,12H,6-11H2,1H3,(H,17,20)
InChIKeyXPCOIXMKAYQSSL-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.38
Rot. Bonds7

About 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide

2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 90648634) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID90648634
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCn1c(CCNC(=O)CSCC2CC2)nc2ccccc21
InChIInChI=1S/C16H21N3OS/c1-19-14-5-3-2-4-13(14)18-15(19)8-9-17-16(20)11-21-10-12-6-7-12/h2-5,12H,6-11H2,1H3,(H,17,20)
InChIKeyXPCOIXMKAYQSSL-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 95324241
(1S,6R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide;dihydrochloride
CID 154905048
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 71710226

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide (CID 90648634) is 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide is Cn1c(CCNC(=O)CSCC2CC2)nc2ccccc21.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is XPCOIXMKAYQSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19-14-5-3-2-4-13(14)18-15(19)8-9-17-16(20)11-21-10-12-6-7-12/h2-5,12H,6-11H2,1H3,(H,17,20).
What are the key properties of 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 90648634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).