N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide

C23H21ClN6O3 — CID 11178778

About N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide

N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide (PubChem CID 11178778) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
• PubChem CID: 11178778
• Molecular Formula: C23H21ClN6O3
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.14
• IUPAC Name: N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
• SMILES: Cc1cc(C(=O)NC(c2ccn[nH]2)c2nc3ccc(Cl)cc3[nH]2)ccc1N1CCOCC1=O
• InChI: InChI=1S/C23H21ClN6O3/c1-13-10-14(2-5-19(13)30-8-9-33-12-20(30)31)23(32)28-21(17-6-7-25-29-17)22-26-16-4-3-15(24)11-18(16)27-22/h2-7,10-11,21H,8-9,12H2,1H3,(H,25,29)(H,26,27)(H,28,32)
• InChIKey: MKUZAQSEPKIICL-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 116.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?

The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide (CID 11178778) is N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide.

What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?

The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide is Cc1cc(C(=O)NC(c2ccn[nH]2)c2nc3ccc(Cl)cc3[nH]2)ccc1N1CCOCC1=O.

What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?

The InChIKey is MKUZAQSEPKIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-13-10-14(2-5-19(13)30-8-9-33-12-20(30)31)23(32)28-21(17-6-7-25-29-17)22-26-16-4-3-15(24)11-18(16)27-22/h2-7,10-11,21H,8-9,12H2,1H3,(H,25,29)(H,26,27)(H,28,32).

What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide?

N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide has a molecular weight of 464.91 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide is sourced from PubChem (CID 11178778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).