6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C23H22N4 — CID 3904936

IUPAC6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCc1cc(C2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1C1CC1
InChIInChI=1S/C23H22N4/c1-14-13-18(15(2)26(14)16-11-12-16)23-24-19-8-4-3-7-17(19)22-25-20-9-5-6-10-21(20)27(22)23/h3-10,13,16,23-24H,11-12H2,1-2H3
InChIKeyOMAPGHAMRIHJRQ-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.43
Rot. Bonds2

About 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 3904936) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID3904936
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCc1cc(C2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1C1CC1
InChIInChI=1S/C23H22N4/c1-14-13-18(15(2)26(14)16-11-12-16)23-24-19-8-4-3-7-17(19)22-25-20-9-5-6-10-21(20)27(22)23/h3-10,13,16,23-24H,11-12H2,1-2H3
InChIKeyOMAPGHAMRIHJRQ-UHFFFAOYSA-N
XLogP5.43
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 3904936) is 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is Cc1cc(C2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1C1CC1.
What is the InChIKey of 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is OMAPGHAMRIHJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-14-13-18(15(2)26(14)16-11-12-16)23-24-19-8-4-3-7-17(19)22-25-20-9-5-6-10-21(20)27(22)23/h3-10,13,16,23-24H,11-12H2,1-2H3.
What are the key properties of 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 354.46 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 3904936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).