3-(2-phenylethyl)benzimidazolo[2,1-f]purine

C19H15N5 — CID 134852122

IUPAC3-(2-phenylethyl)benzimidazolo[2,1-f]purine
SMILESc1ccc(CCn2cnc3c2ncn2c4ccccc4nc32)cc1
InChIInChI=1S/C19H15N5/c1-2-6-14(7-3-1)10-11-23-12-20-17-18(23)21-13-24-16-9-5-4-8-15(16)22-19(17)24/h1-9,12-13H,10-11H2
InChIKeyBLTAKYDYFAIOHL-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.47
Rot. Bonds3

About 3-(2-phenylethyl)benzimidazolo[2,1-f]purine

3-(2-phenylethyl)benzimidazolo[2,1-f]purine (PubChem CID 134852122) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(2-phenylethyl)benzimidazolo[2,1-f]purine.

Molecular Properties

Compound Name3-(2-phenylethyl)benzimidazolo[2,1-f]purine
PubChem CID134852122
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name3-(2-phenylethyl)benzimidazolo[2,1-f]purine
SMILESc1ccc(CCn2cnc3c2ncn2c4ccccc4nc32)cc1
InChIInChI=1S/C19H15N5/c1-2-6-14(7-3-1)10-11-23-12-20-17-18(23)21-13-24-16-9-5-4-8-15(16)22-19(17)24/h1-9,12-13H,10-11H2
InChIKeyBLTAKYDYFAIOHL-UHFFFAOYSA-N
XLogP3.47
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-butylbenzimidazolo[2,1-f]purine
CID 134852737
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
4,6-diphenyl-3,5,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 163388345
1-(18-phenyloctadecyl)benzimidazole
CID 67925718
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198
1-(2-phenylethyl)indole
CID 12601752
13-(2-phenylethyl)-17-[(E)-thiophen-2-ylmethylideneamino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 6891027
13-(2-phenylethyl)-17-(thiophen-2-ylmethylideneamino)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2043466
N,N-dimethyl-2-(2-phenylethyl)imidazo[1,2-a]quinoxalin-4-amine
CID 25254339
3-phenylpyrimido[1,6-a]benzimidazole-4-carbonitrile
CID 15113967
3-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 82791472

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)benzimidazolo[2,1-f]purine?
The IUPAC name of 3-(2-phenylethyl)benzimidazolo[2,1-f]purine (CID 134852122) is 3-(2-phenylethyl)benzimidazolo[2,1-f]purine.
What is the SMILES notation for 3-(2-phenylethyl)benzimidazolo[2,1-f]purine?
The canonical SMILES for 3-(2-phenylethyl)benzimidazolo[2,1-f]purine is c1ccc(CCn2cnc3c2ncn2c4ccccc4nc32)cc1.
What is the InChIKey of 3-(2-phenylethyl)benzimidazolo[2,1-f]purine?
The InChIKey is BLTAKYDYFAIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-6-14(7-3-1)10-11-23-12-20-17-18(23)21-13-24-16-9-5-4-8-15(16)22-19(17)24/h1-9,12-13H,10-11H2.
What are the key properties of 3-(2-phenylethyl)benzimidazolo[2,1-f]purine?
3-(2-phenylethyl)benzimidazolo[2,1-f]purine has a molecular weight of 313.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)benzimidazolo[2,1-f]purine is sourced from PubChem (CID 134852122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).