N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide

C28H29ClN4O2 — CID 44534223

IUPACN-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(C)cc2[nH]1
InChIInChI=1S/C28H29ClN4O2/c1-18-14-24-25(16-23(18)29)32-27(31-24)22-9-8-20(15-26(22)35-2)28(34)30-21-10-12-33(13-11-21)17-19-6-4-3-5-7-19/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyYZUPUSFSKXNGFX-UHFFFAOYSA-N
MW489.02 g/mol
LogP5.59
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide

N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide (PubChem CID 44534223) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide
PubChem CID44534223
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(C)cc2[nH]1
InChIInChI=1S/C28H29ClN4O2/c1-18-14-24-25(16-23(18)29)32-27(31-24)22-9-8-20(15-26(22)35-2)28(34)30-21-10-12-33(13-11-21)17-19-6-4-3-5-7-19/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyYZUPUSFSKXNGFX-UHFFFAOYSA-N
XLogP5.59
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.02
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide (CID 44534223) is N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide is COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(C)cc2[nH]1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide?
The InChIKey is YZUPUSFSKXNGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c1-18-14-24-25(16-23(18)29)32-27(31-24)22-9-8-20(15-26(22)35-2)28(34)30-21-10-12-33(13-11-21)17-19-6-4-3-5-7-19/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide?
N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide has a molecular weight of 489.02 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 44534223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).