3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride

C18H21ClN4O — CID 19787125

IUPAC3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
SMILESCc1[nH]cnc1CN1C(=O)n2c(c(C)c3ccccc32)CC1C.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-11-8-17-12(2)14-6-4-5-7-16(14)22(17)18(23)21(11)9-15-13(3)19-10-20-15;/h4-7,10-11H,8-9H2,1-3H3,(H,19,20);1H
InChIKeyJKVVSPKAYDVDLW-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.82
Rot. Bonds2

About 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride

3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride (PubChem CID 19787125) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
PubChem CID19787125
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
SMILESCc1[nH]cnc1CN1C(=O)n2c(c(C)c3ccccc32)CC1C.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-11-8-17-12(2)14-6-4-5-7-16(14)22(17)18(23)21(11)9-15-13(3)19-10-20-15;/h4-7,10-11H,8-9H2,1-3H3,(H,19,20);1H
InChIKeyJKVVSPKAYDVDLW-UHFFFAOYSA-N
XLogP3.82
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride?
The IUPAC name of 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride (CID 19787125) is 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride?
The canonical SMILES for 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride is Cc1[nH]cnc1CN1C(=O)n2c(c(C)c3ccccc32)CC1C.Cl.
What is the InChIKey of 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride?
The InChIKey is JKVVSPKAYDVDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.ClH/c1-11-8-17-12(2)14-6-4-5-7-16(14)22(17)18(23)21(11)9-15-13(3)19-10-20-15;/h4-7,10-11H,8-9H2,1-3H3,(H,19,20);1H.
What are the key properties of 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride?
3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride has a molecular weight of 344.85 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride is sourced from PubChem (CID 19787125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).