[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone

C24H30N4O3 — CID 110219198

IUPAC[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
SMILESCc1ccc2nc(C3CCCCN3C(=O)c3oc(CN4CCOCC4)cc3C)[nH]c2c1
InChIInChI=1S/C24H30N4O3/c1-16-6-7-19-20(13-16)26-23(25-19)21-5-3-4-8-28(21)24(29)22-17(2)14-18(31-22)15-27-9-11-30-12-10-27/h6-7,13-14,21H,3-5,8-12,15H2,1-2H3,(H,25,26)
InChIKeyWPPNSSKUYPMKQN-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.97
Rot. Bonds4

About [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone

[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone (PubChem CID 110219198) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
PubChem CID110219198
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone
SMILESCc1ccc2nc(C3CCCCN3C(=O)c3oc(CN4CCOCC4)cc3C)[nH]c2c1
InChIInChI=1S/C24H30N4O3/c1-16-6-7-19-20(13-16)26-23(25-19)21-5-3-4-8-28(21)24(29)22-17(2)14-18(31-22)15-27-9-11-30-12-10-27/h6-7,13-14,21H,3-5,8-12,15H2,1-2H3,(H,25,26)
InChIKeyWPPNSSKUYPMKQN-UHFFFAOYSA-N
XLogP3.97
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone (CID 110219198) is [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone is Cc1ccc2nc(C3CCCCN3C(=O)c3oc(CN4CCOCC4)cc3C)[nH]c2c1.
What is the InChIKey of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
The InChIKey is WPPNSSKUYPMKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-6-7-19-20(13-16)26-23(25-19)21-5-3-4-8-28(21)24(29)22-17(2)14-18(31-22)15-27-9-11-30-12-10-27/h6-7,13-14,21H,3-5,8-12,15H2,1-2H3,(H,25,26).
What are the key properties of [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone?
[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methyl-5-(morpholin-4-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 110219198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).