2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide

C18H20N4O3S — CID 91788245

IUPAC2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)cccc2[nH]1
InChIInChI=1S/C18H20N4O3S/c1-11-20-14-4-2-3-13(17(14)21-11)18(23)22-15-8-24-6-5-16(15)25-7-12-9-26-10-19-12/h2-4,9-10,15-16H,5-8H2,1H3,(H,20,21)(H,22,23)/t15-,16+/m1/s1
InChIKeyDVEPEQJSTISLOL-CVEARBPZSA-N
MW372.45 g/mol
LogP2.43
Rot. Bonds5

About 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide

2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 91788245) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID91788245
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)cccc2[nH]1
InChIInChI=1S/C18H20N4O3S/c1-11-20-14-4-2-3-13(17(14)21-11)18(23)22-15-8-24-6-5-16(15)25-7-12-9-26-10-19-12/h2-4,9-10,15-16H,5-8H2,1H3,(H,20,21)(H,22,23)/t15-,16+/m1/s1
InChIKeyDVEPEQJSTISLOL-CVEARBPZSA-N
XLogP2.43
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide (CID 91788245) is 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide is Cc1nc2c(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)cccc2[nH]1.
What is the InChIKey of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is DVEPEQJSTISLOL-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-20-14-4-2-3-13(17(14)21-11)18(23)22-15-8-24-6-5-16(15)25-7-12-9-26-10-19-12/h2-4,9-10,15-16H,5-8H2,1H3,(H,20,21)(H,22,23)/t15-,16+/m1/s1.
What are the key properties of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide?
2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 91788245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).