1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

C24H31N3O — CID 43814450

IUPAC1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)ncn2C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H31N3O/c1-16-2-3-22-21(8-16)25-15-27(22)20-4-6-26(7-5-20)23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-3,8,15,17-20H,4-7,9-14H2,1H3
InChIKeyFCWIXJCHKUAAFL-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.72
Rot. Bonds2

About 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 43814450) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID43814450
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)ncn2C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C24H31N3O/c1-16-2-3-22-21(8-16)25-15-27(22)20-4-6-26(7-5-20)23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-3,8,15,17-20H,4-7,9-14H2,1H3
InChIKeyFCWIXJCHKUAAFL-UHFFFAOYSA-N
XLogP4.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 43814450) is 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is Cc1ccc2c(c1)ncn2C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is FCWIXJCHKUAAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-16-2-3-22-21(8-16)25-15-27(22)20-4-6-26(7-5-20)23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-3,8,15,17-20H,4-7,9-14H2,1H3.
What are the key properties of 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 377.53 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(5-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 43814450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).