6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline

C29H31N3 — CID 70651023

IUPAC6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESCC(C)c1cc(C(C)C)c(-c2nc3ccccc3c3nc4ccccc4n23)c(C(C)C)c1
InChIInChI=1S/C29H31N3/c1-17(2)20-15-22(18(3)4)27(23(16-20)19(5)6)29-30-24-12-8-7-11-21(24)28-31-25-13-9-10-14-26(25)32(28)29/h7-19H,1-6H3
InChIKeyHWKZKXKEPWOZTI-UHFFFAOYSA-N
MW421.59 g/mol
LogP8.07
Rot. Bonds4

About 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline

6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 70651023) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
PubChem CID70651023
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC Name6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline
SMILESCC(C)c1cc(C(C)C)c(-c2nc3ccccc3c3nc4ccccc4n23)c(C(C)C)c1
InChIInChI=1S/C29H31N3/c1-17(2)20-15-22(18(3)4)27(23(16-20)19(5)6)29-30-24-12-8-7-11-21(24)28-31-25-13-9-10-14-26(25)32(28)29/h7-19H,1-6H3
InChIKeyHWKZKXKEPWOZTI-UHFFFAOYSA-N
XLogP8.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
9-propan-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 123182540
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
2-methyl-6-(2,4,6-trimethylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652117
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
6-(4,6-diphenyl-2-pyridinyl)benzimidazolo[1,2-c]quinazoline
CID 70807699
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
18-(2,6-dimethylphenyl)-2,9,17,19-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.020,24]tetracosa-1(23),3,5,7,9,11,13,15,18,20(24),21-undecaene
CID 164734168
6-(2-phenoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 70651031

Frequently Asked Questions

What is the IUPAC name of 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline (CID 70651023) is 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline is CC(C)c1cc(C(C)C)c(-c2nc3ccccc3c3nc4ccccc4n23)c(C(C)C)c1.
What is the InChIKey of 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is HWKZKXKEPWOZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3/c1-17(2)20-15-22(18(3)4)27(23(16-20)19(5)6)29-30-24-12-8-7-11-21(24)28-31-25-13-9-10-14-26(25)32(28)29/h7-19H,1-6H3.
What are the key properties of 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline?
6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 421.59 g/mol, XLogP of 8.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4,6-tri(propan-2-yl)phenyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70651023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).