7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole

C21H19N5O2 — CID 4293062

IUPAC7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole
SMILESCOc1cc2[nH]c3c(N4CCN=C4c4ccccc4)ncnc3c2cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-16-10-14-15(11-17(16)28-2)25-19-18(14)23-12-24-21(19)26-9-8-22-20(26)13-6-4-3-5-7-13/h3-7,10-12,25H,8-9H2,1-2H3
InChIKeyBFCJJQFARLLTKP-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.40
Rot. Bonds4

About 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole

7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole (PubChem CID 4293062) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole
PubChem CID4293062
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole
SMILESCOc1cc2[nH]c3c(N4CCN=C4c4ccccc4)ncnc3c2cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-16-10-14-15(11-17(16)28-2)25-19-18(14)23-12-24-21(19)26-9-8-22-20(26)13-6-4-3-5-7-13/h3-7,10-12,25H,8-9H2,1-2H3
InChIKeyBFCJJQFARLLTKP-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7,8-dimethoxy-4-pyrrolidin-1-yl-5H-pyrimido[5,4-b]indole
CID 942038
4-[4-[3-(fluoromethyl)phenyl]piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole
CID 70992721
8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2031324
N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 139962098
N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 139962103
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 46395892
4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301
4-[4-(3-methoxyphenyl)piperazin-1-yl]-8-methyl-5H-pyrimido[5,4-b]indole
CID 3851961
N-(5-bromo-2-pyridinyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 3731179
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)-9H-pyrimido[4,5-b]indole
CID 14293777
5,6-dimethoxy-2-phenyl-1H-indole
CID 4066504
7-methoxy-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole
CID 2015860

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole?
The IUPAC name of 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole (CID 4293062) is 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole is COc1cc2[nH]c3c(N4CCN=C4c4ccccc4)ncnc3c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole?
The InChIKey is BFCJJQFARLLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-16-10-14-15(11-17(16)28-2)25-19-18(14)23-12-24-21(19)26-9-8-22-20(26)13-6-4-3-5-7-13/h3-7,10-12,25H,8-9H2,1-2H3.
What are the key properties of 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole?
7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole has a molecular weight of 373.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 4293062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).