5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C18H18N6OS — CID 95196702

About 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 95196702) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 95196702
• Molecular Formula: C18H18N6OS
• Molecular Weight: 366.45 g/mol
• Exact Mass: 366.13
• IUPAC Name: 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
• SMILES: C[C@@H](c1cncs1)N(C)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
• InChI: InChI=1S/C18H18N6OS/c1-12(17-8-19-11-26-17)23(2)18(25)15-7-13(21-22-15)9-24-10-20-14-5-3-4-6-16(14)24/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1
• InChIKey: GSULNLXQNOOWAI-LBPRGKRZSA-N
• XLogP: 3.10
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.45
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 95196702) is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is C[C@@H](c1cncs1)N(C)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1.

What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?

The InChIKey is GSULNLXQNOOWAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-12(17-8-19-11-26-17)23(2)18(25)15-7-13(21-22-15)9-24-10-20-14-5-3-4-6-16(14)24/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1.

What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?

5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95196702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).