N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide

C19H21N3O3S — CID 91770832

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C19H21N3O3S/c23-13-10-12(11-13)18(16-6-3-9-26-16)21-17(24)7-8-22-15-5-2-1-4-14(15)20-19(22)25/h1-6,9,12-13,18,23H,7-8,10-11H2,(H,20,25)(H,21,24)
InChIKeyQRXJXMTZUJMYQR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.41
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide (PubChem CID 91770832) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
PubChem CID91770832
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c2ccccc21)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C19H21N3O3S/c23-13-10-12(11-13)18(16-6-3-9-26-16)21-17(24)7-8-22-15-5-2-1-4-14(15)20-19(22)25/h1-6,9,12-13,18,23H,7-8,10-11H2,(H,20,25)(H,21,24)
InChIKeyQRXJXMTZUJMYQR-UHFFFAOYSA-N
XLogP2.41
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide (CID 91770832) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide is O=C(CCn1c(=O)[nH]c2ccccc21)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The InChIKey is QRXJXMTZUJMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-13-10-12(11-13)18(16-6-3-9-26-16)21-17(24)7-8-22-15-5-2-1-4-14(15)20-19(22)25/h1-6,9,12-13,18,23H,7-8,10-11H2,(H,20,25)(H,21,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide is sourced from PubChem (CID 91770832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).