N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide

C27H26Cl2N4O2 — CID 44534277

IUPACN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C27H26Cl2N4O2/c1-35-25-13-18(7-8-20(25)26-31-23-14-21(28)22(29)15-24(23)32-26)27(34)30-19-9-11-33(12-10-19)16-17-5-3-2-4-6-17/h2-8,13-15,19H,9-12,16H2,1H3,(H,30,34)(H,31,32)
InChIKeyFKFMWAPZMDBNNB-UHFFFAOYSA-N
MW509.44 g/mol
LogP5.94
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide (PubChem CID 44534277) has the molecular formula C27H26Cl2N4O2 and a molecular weight of 509.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide
PubChem CID44534277
Molecular FormulaC27H26Cl2N4O2
Molecular Weight509.44 g/mol
Exact Mass508.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C27H26Cl2N4O2/c1-35-25-13-18(7-8-20(25)26-31-23-14-21(28)22(29)15-24(23)32-26)27(34)30-19-9-11-33(12-10-19)16-17-5-3-2-4-6-17/h2-8,13-15,19H,9-12,16H2,1H3,(H,30,34)(H,31,32)
InChIKeyFKFMWAPZMDBNNB-UHFFFAOYSA-N
XLogP5.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 55.94
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-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide (CID 44534277) is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide is COc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide?
The InChIKey is FKFMWAPZMDBNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O2/c1-35-25-13-18(7-8-20(25)26-31-23-14-21(28)22(29)15-24(23)32-26)27(34)30-19-9-11-33(12-10-19)16-17-5-3-2-4-6-17/h2-8,13-15,19H,9-12,16H2,1H3,(H,30,34)(H,31,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide?
N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide has a molecular weight of 509.44 g/mol, XLogP of 5.94, 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-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 44534277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).