N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole

C55H47N9O — CID 158501270

IUPACN-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole
SMILESCN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cn2cccnc2n1.Cc1nnc(-c2ccccc2)o1.Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C25H20N2.C14H12N2.C9H8N2O.C7H7N3/c1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-6-5-10-4-2-3-8-7(10)9-6/h2-18H,1H3;2-10H,1H3;2-6H,1H3;2-5H,1H3
InChIKeyHJXPYOIVKKKOOP-UHFFFAOYSA-N
MW850.04 g/mol
LogP12.87
Rot. Bonds5

About N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole

N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 158501270) has the molecular formula C55H47N9O and a molecular weight of 850.04 g/mol. Its IUPAC name is N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound NameN-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole
PubChem CID158501270
Molecular FormulaC55H47N9O
Molecular Weight850.04 g/mol
Exact Mass849.39
IUPAC NameN-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole
SMILESCN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cn2cccnc2n1.Cc1nnc(-c2ccccc2)o1.Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C25H20N2.C14H12N2.C9H8N2O.C7H7N3/c1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-6-5-10-4-2-3-8-7(10)9-6/h2-18H,1H3;2-10H,1H3;2-6H,1H3;2-5H,1H3
InChIKeyHJXPYOIVKKKOOP-UHFFFAOYSA-N
XLogP12.87
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.04
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 10405802
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US10112944, Example 16
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US20240025892, Example 56
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole (CID 158501270) is N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole is CN(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1cn2cccnc2n1.Cc1nnc(-c2ccccc2)o1.Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is HJXPYOIVKKKOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2.C14H12N2.C9H8N2O.C7H7N3/c1-26(19-10-4-2-5-11-19)21-16-17-25-23(18-21)22-14-8-9-15-24(22)27(25)20-12-6-3-7-13-20;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-6-5-10-4-2-3-8-7(10)9-6/h2-18H,1H3;2-10H,1H3;2-6H,1H3;2-5H,1H3.
What are the key properties of N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole?
N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 850.04 g/mol, XLogP of 12.87, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,9-diphenylcarbazol-3-amine;2-methylimidazo[1,2-a]pyrimidine;1-methyl-2-phenylbenzimidazole;2-methyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 158501270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).