2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

C16H19N3OS — CID 84601631

IUPAC2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2ccccc2n1C
InChIInChI=1S/C16H19N3OS/c1-4-10-19(11-5-2)15(20)12-21-16-17-13-8-6-7-9-14(13)18(16)3/h4-9H,1-2,10-12H2,3H3
InChIKeyDKRDLMFHIUAXCM-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.87
Rot. Bonds7

About 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 84601631) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID84601631
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2ccccc2n1C
InChIInChI=1S/C16H19N3OS/c1-4-10-19(11-5-2)15(20)12-21-16-17-13-8-6-7-9-14(13)18(16)3/h4-9H,1-2,10-12H2,3H3
InChIKeyDKRDLMFHIUAXCM-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 5220329
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 18193542
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 3655188
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 4809917
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327
2-(1-methylbenzimidazol-2-yl)sulfanylacetaldehyde;2-methylpropane
CID 143284322
N-(4-methoxyphenyl)-2-[methyl-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide
CID 8002588
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
2-[2-(1-methyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17002346

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 84601631) is 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1nc2ccccc2n1C.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is DKRDLMFHIUAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-10-19(11-5-2)15(20)12-21-16-17-13-8-6-7-9-14(13)18(16)3/h4-9H,1-2,10-12H2,3H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 301.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 84601631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).