2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide

C17H17N3OS — CID 91641807

IUPAC2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H17N3OS/c21-17(11-19-12-18-15-5-1-2-6-16(15)19)20(13-7-8-13)10-14-4-3-9-22-14/h1-6,9,12-13H,7-8,10-11H2
InChIKeyMSHDJJGOFNRCQR-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.29
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide

2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 91641807) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID91641807
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cnc2ccccc21)N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H17N3OS/c21-17(11-19-12-18-15-5-1-2-6-16(15)19)20(13-7-8-13)10-14-4-3-9-22-14/h1-6,9,12-13H,7-8,10-11H2
InChIKeyMSHDJJGOFNRCQR-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-benzyl-N-(oxetan-3-yl)acetamide
CID 166259805
N-cyclopropyl-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25345728
2-(benzimidazol-1-yl)-N-cyclohexyl-N-(cyclopropylmethyl)acetamide
CID 146123330
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37484139
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37483928
2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122159016
N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42953421
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610612

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide (CID 91641807) is 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cnc2ccccc21)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MSHDJJGOFNRCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-17(11-19-12-18-15-5-1-2-6-16(15)19)20(13-7-8-13)10-14-4-3-9-22-14/h1-6,9,12-13H,7-8,10-11H2.
What are the key properties of 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 91641807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).