4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline

C37H28N4 — CID 145202401

IUPAC4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline
SMILESc1ccc(N2c3ccccc3NC2c2ccc(C3N=C(c4ccc5ccccc5c4)c4ccccc4N3)cc2)cc1
InChIInChI=1S/C37H28N4/c1-2-12-30(13-3-1)41-34-17-9-8-16-33(34)39-37(41)27-21-19-26(20-22-27)36-38-32-15-7-6-14-31(32)35(40-36)29-23-18-25-10-4-5-11-28(25)24-29/h1-24,36-39H
InChIKeyHNQLMSRLYQLPJC-UHFFFAOYSA-N
MW528.66 g/mol
LogP9.06
Rot. Bonds4

About 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline

4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline (PubChem CID 145202401) has the molecular formula C37H28N4 and a molecular weight of 528.66 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline
PubChem CID145202401
Molecular FormulaC37H28N4
Molecular Weight528.66 g/mol
Exact Mass528.23
IUPAC Name4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline
SMILESc1ccc(N2c3ccccc3NC2c2ccc(C3N=C(c4ccc5ccccc5c4)c4ccccc4N3)cc2)cc1
InChIInChI=1S/C37H28N4/c1-2-12-30(13-3-1)41-34-17-9-8-16-33(34)39-37(41)27-21-19-26(20-22-27)36-38-32-15-7-6-14-31(32)35(40-36)29-23-18-25-10-4-5-11-28(25)24-29/h1-24,36-39H
InChIKeyHNQLMSRLYQLPJC-UHFFFAOYSA-N
XLogP9.06
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 59.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 143828963
23-(4-naphthalen-2-yl-2-phenyl-1,2-dihydroquinazolin-6-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 163628053
3-naphthalen-2-yl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl-1,2-dihydrobenzimidazole;3-naphthalen-2-yl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole;3-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-yl-1,2-dihydrobenzimidazole;3-(4-phenylphenyl)-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,2-dihydrobenzimidazole
CID 158319996
2-[4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole
CID 146413990
3-[4-(3-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-1,2-dihydrobenzimidazole
CID 130241480
15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene
CID 144995351
13-(4-phenylnaphthalen-1-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),4,6,8,11(16),12,14,18,20,22,24-undecaene
CID 146789246
8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 146325618
1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
CID 11538084
15-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-8,9'-fluorene]
CID 129262709
28-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-28-azaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 145370613
ethane;8-methylidene-9-[6-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl]-10,18-diazatetracyclo[8.8.0.02,7.011,17]octadeca-1(18),2,4,6,11(17),12,14-heptaene;hydroiodide
CID 143486364

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline?
The IUPAC name of 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline (CID 145202401) is 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline.
What is the SMILES notation for 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline?
The canonical SMILES for 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline is c1ccc(N2c3ccccc3NC2c2ccc(C3N=C(c4ccc5ccccc5c4)c4ccccc4N3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline?
The InChIKey is HNQLMSRLYQLPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4/c1-2-12-30(13-3-1)41-34-17-9-8-16-33(34)39-37(41)27-21-19-26(20-22-27)36-38-32-15-7-6-14-31(32)35(40-36)29-23-18-25-10-4-5-11-28(25)24-29/h1-24,36-39H.
What are the key properties of 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline?
4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline has a molecular weight of 528.66 g/mol, XLogP of 9.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline is sourced from PubChem (CID 145202401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).