4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one

C19H32N4O — CID 56867908

IUPAC4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one
SMILESCC(C)C1CN(Cc2nccn2C(C)C)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H32N4O/c1-14(2)17-12-21(13-18-20-8-10-22(18)15(3)4)9-7-19(24)23(17)11-16-5-6-16/h8,10,14-17H,5-7,9,11-13H2,1-4H3
InChIKeyLWYSKBMHUOOZTN-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.93
Rot. Bonds6

About 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one

4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one (PubChem CID 56867908) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one
PubChem CID56867908
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one
SMILESCC(C)C1CN(Cc2nccn2C(C)C)CCC(=O)N1CC1CC1
InChIInChI=1S/C19H32N4O/c1-14(2)17-12-21(13-18-20-8-10-22(18)15(3)4)9-7-19(24)23(17)11-16-5-6-16/h8,10,14-17H,5-7,9,11-13H2,1-4H3
InChIKeyLWYSKBMHUOOZTN-UHFFFAOYSA-N
XLogP2.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one (CID 56867908) is 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one is CC(C)C1CN(Cc2nccn2C(C)C)CCC(=O)N1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one?
The InChIKey is LWYSKBMHUOOZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14(2)17-12-21(13-18-20-8-10-22(18)15(3)4)9-7-19(24)23(17)11-16-5-6-16/h8,10,14-17H,5-7,9,11-13H2,1-4H3.
What are the key properties of 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one has a molecular weight of 332.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 56867908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).