(6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C24H18ClN5 — CID 135562407

IUPAC(6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C24H18ClN5/c1-15-21(22(25)30(28-15)16-9-3-2-4-10-16)24-26-18-12-6-5-11-17(18)23-27-19-13-7-8-14-20(19)29(23)24/h2-14,24,26H,1H3/t24-/m0/s1
InChIKeyWEAWFUMNQFSUHW-DEOSSOPVSA-N
MW411.90 g/mol
LogP5.82
Rot. Bonds2

About (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

(6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 135562407) has the molecular formula C24H18ClN5 and a molecular weight of 411.90 g/mol. Its IUPAC name is (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name(6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID135562407
Molecular FormulaC24H18ClN5
Molecular Weight411.90 g/mol
Exact Mass411.13
IUPAC Name(6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C24H18ClN5/c1-15-21(22(25)30(28-15)16-9-3-2-4-10-16)24-26-18-12-6-5-11-17(18)23-27-19-13-7-8-14-20(19)29(23)24/h2-14,24,26H,1H3/t24-/m0/s1
InChIKeyWEAWFUMNQFSUHW-DEOSSOPVSA-N
XLogP5.82
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.90
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3942276
(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 1277249
(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135562411
(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 733578
(6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135904837
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 136931573
2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
CID 139076751
(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135874224
(6R)-6-(2-chloroimidazo[1,2-a]pyridin-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135726001
ethane;6-pyren-1-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 143486448
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
CID 135904843

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 135562407) is (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21.
What is the InChIKey of (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is WEAWFUMNQFSUHW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18ClN5/c1-15-21(22(25)30(28-15)16-9-3-2-4-10-16)24-26-18-12-6-5-11-17(18)23-27-19-13-7-8-14-20(19)29(23)24/h2-14,24,26H,1H3/t24-/m0/s1.
What are the key properties of (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
(6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 411.90 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 135562407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).