N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

C19H21N3O2S — CID 91782926

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NC(c3cccs3)C3CC(O)C3)cc2[nH]1
InChIInChI=1S/C19H21N3O2S/c1-11-20-15-5-4-12(7-16(15)21-11)8-18(24)22-19(13-9-14(23)10-13)17-3-2-6-25-17/h2-7,13-14,19,23H,8-10H2,1H3,(H,20,21)(H,22,24)
InChIKeyGMOHIHRIBZDTGM-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.10
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 91782926) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
PubChem CID91782926
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NC(c3cccs3)C3CC(O)C3)cc2[nH]1
InChIInChI=1S/C19H21N3O2S/c1-11-20-15-5-4-12(7-16(15)21-11)8-18(24)22-19(13-9-14(23)10-13)17-3-2-6-25-17/h2-7,13-14,19,23H,8-10H2,1H3,(H,20,21)(H,22,24)
InChIKeyGMOHIHRIBZDTGM-UHFFFAOYSA-N
XLogP3.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide (CID 91782926) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is Cc1nc2ccc(CC(=O)NC(c3cccs3)C3CC(O)C3)cc2[nH]1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is GMOHIHRIBZDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-20-15-5-4-12(7-16(15)21-11)8-18(24)22-19(13-9-14(23)10-13)17-3-2-6-25-17/h2-7,13-14,19,23H,8-10H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 91782926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).