2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole

C38H29N3 — CID 167015056

IUPAC2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole
SMILESC=CC1=C(/C=C\C)c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C1(c1ccccc1)c1cccnc1
InChIInChI=1S/C38H29N3/c1-3-14-31-32-23-22-27(37-40-35-20-11-12-21-36(35)41(37)30-18-9-6-10-19-30)25-34(32)38(33(31)4-2,28-15-7-5-8-16-28)29-17-13-24-39-26-29/h3-26H,2H2,1H3/b14-3-
InChIKeyQTOHPRCGWNMQIQ-BNNQUZSASA-N
MW527.67 g/mol
LogP8.95
Rot. Bonds6

About 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole

2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole (PubChem CID 167015056) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole
PubChem CID167015056
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC Name2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole
SMILESC=CC1=C(/C=C\C)c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C1(c1ccccc1)c1cccnc1
InChIInChI=1S/C38H29N3/c1-3-14-31-32-23-22-27(37-40-35-20-11-12-21-36(35)41(37)30-18-9-6-10-19-30)25-34(32)38(33(31)4-2,28-15-7-5-8-16-28)29-17-13-24-39-26-29/h3-26H,2H2,1H3/b14-3-
InChIKeyQTOHPRCGWNMQIQ-BNNQUZSASA-N
XLogP8.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-phenyl-2-pyridin-3-ylbenzimidazole
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2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
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2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
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2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
CID 138574311
2-(3-ethenylphenyl)-1-phenylbenzimidazole
CID 89265101
2-(23,23-dimethyl-20-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(22),18,20-dodecaenyl)-1-phenylbenzimidazole
CID 118472824
1-(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-ylbenzimidazole
CID 134528323
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
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5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole (CID 167015056) is 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole is C=CC1=C(/C=C\C)c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2C1(c1ccccc1)c1cccnc1.
What is the InChIKey of 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole?
The InChIKey is QTOHPRCGWNMQIQ-BNNQUZSASA-N. The full InChI is InChI=1S/C38H29N3/c1-3-14-31-32-23-22-27(37-40-35-20-11-12-21-36(35)41(37)30-18-9-6-10-19-30)25-34(32)38(33(31)4-2,28-15-7-5-8-16-28)29-17-13-24-39-26-29/h3-26H,2H2,1H3/b14-3-.
What are the key properties of 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole?
2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole has a molecular weight of 527.67 g/mol, XLogP of 8.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethenyl-3-phenyl-1-[(Z)-prop-1-enyl]-3-pyridin-3-ylinden-5-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 167015056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).