(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone

C18H24N4O — CID 75375728

IUPAC(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone
SMILESCC1CN(C)c2ccccc2N(C(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C18H24N4O/c1-12(2)17-19-9-14(20-17)18(23)22-11-13(3)10-21(4)15-7-5-6-8-16(15)22/h5-9,12-13H,10-11H2,1-4H3,(H,19,20)
InChIKeyLSIZGXRMYYDEGC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.27
Rot. Bonds2

About (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone

(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone (PubChem CID 75375728) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone
PubChem CID75375728
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone
SMILESCC1CN(C)c2ccccc2N(C(=O)c2cnc(C(C)C)[nH]2)C1
InChIInChI=1S/C18H24N4O/c1-12(2)17-19-9-14(20-17)18(23)22-11-13(3)10-21(4)15-7-5-6-8-16(15)22/h5-9,12-13H,10-11H2,1-4H3,(H,19,20)
InChIKeyLSIZGXRMYYDEGC-UHFFFAOYSA-N
XLogP3.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The IUPAC name of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone (CID 75375728) is (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The canonical SMILES for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone is CC1CN(C)c2ccccc2N(C(=O)c2cnc(C(C)C)[nH]2)C1.
What is the InChIKey of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
The InChIKey is LSIZGXRMYYDEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)17-19-9-14(20-17)18(23)22-11-13(3)10-21(4)15-7-5-6-8-16(15)22/h5-9,12-13H,10-11H2,1-4H3,(H,19,20).
What are the key properties of (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone?
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(2-propan-2-yl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 75375728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).