(4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone

C15H24N4O — CID 91833909

IUPAC(4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCN(C3CCCC3)CC2)[nH]1
InChIInChI=1S/C15H24N4O/c1-12-11-16-14(17-12)15(20)19-8-4-7-18(9-10-19)13-5-2-3-6-13/h11,13H,2-10H2,1H3,(H,16,17)
InChIKeyVXYNQZXVPGIZDX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.81
Rot. Bonds2

About (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone

(4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 91833909) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID91833909
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCN(C3CCCC3)CC2)[nH]1
InChIInChI=1S/C15H24N4O/c1-12-11-16-14(17-12)15(20)19-8-4-7-18(9-10-19)13-5-2-3-6-13/h11,13H,2-10H2,1H3,(H,16,17)
InChIKeyVXYNQZXVPGIZDX-UHFFFAOYSA-N
XLogP1.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone (CID 91833909) is (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2CCCN(C3CCCC3)CC2)[nH]1.
What is the InChIKey of (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is VXYNQZXVPGIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-11-16-14(17-12)15(20)19-8-4-7-18(9-10-19)13-5-2-3-6-13/h11,13H,2-10H2,1H3,(H,16,17).
What are the key properties of (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone?
(4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-1,4-diazepan-1-yl)-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 91833909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).