4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine

C148H155N23 — CID 157457536

IUPAC4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine
SMILESCc1ccc(CCCCNCc2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2ccc(CCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1ccc(-c2ccc(CCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1cn(-c2ccc(CCCCNCc3ccc(-n4ccnc4)cc3)cc2)cn1.c1cnc(-c2ccc(CCCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1.c1cnn(-c2ccc(CCCCNCc3ccc(-n4cccn4)cc3)cc2)c1
InChIInChI=1S/2C27H27N3.C25H25N5.2C23H25N5.C23H26N2/c2*1(7-22-10-14-24(15-11-22)26-8-2-5-19-29-26)4-18-28-21-23-12-16-25(17-13-23)27-9-3-6-20-30-27;1(5-20-6-10-22(11-7-20)24-27-15-3-16-28-24)2-14-26-19-21-8-12-23(13-9-21)25-29-17-4-18-30-25;1(5-20-6-10-22(11-7-20)27-17-3-15-25-27)2-14-24-19-21-8-12-23(13-9-21)28-18-4-16-26-28;1(3-20-4-8-22(9-5-20)27-15-13-25-18-27)2-12-24-17-21-6-10-23(11-7-21)28-16-14-26-19-28;1-19-8-10-20(11-9-19)6-2-4-16-24-18-21-12-14-22(15-13-21)23-7-3-5-17-25-23/h2*2-3,5-6,8-17,19-20,28H,1,4,7,18,21H2;3-4,6-13,15-18,26H,1-2,5,14,19H2;3-4,6-13,15-18,24H,1-2,5,14,19H2;4-11,13-16,18-19,24H,1-3,12,17H2;3,5,7-15,17,24H,2,4,6,16,18H2,1H3
InChIKeyBTNQCNAZCFCQPN-UHFFFAOYSA-N
MW2256.03 g/mol
LogP30.07
Rot. Bonds53

About 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine

4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine (PubChem CID 157457536) has the molecular formula C148H155N23 and a molecular weight of 2256.03 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine
PubChem CID157457536
Molecular FormulaC148H155N23
Molecular Weight2256.03 g/mol
Exact Mass2254.28
IUPAC Name4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine
SMILESCc1ccc(CCCCNCc2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2ccc(CCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1ccc(-c2ccc(CCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1cn(-c2ccc(CCCCNCc3ccc(-n4ccnc4)cc3)cc2)cn1.c1cnc(-c2ccc(CCCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1.c1cnn(-c2ccc(CCCCNCc3ccc(-n4cccn4)cc3)cc2)c1
InChIInChI=1S/2C27H27N3.C25H25N5.2C23H25N5.C23H26N2/c2*1(7-22-10-14-24(15-11-22)26-8-2-5-19-29-26)4-18-28-21-23-12-16-25(17-13-23)27-9-3-6-20-30-27;1(5-20-6-10-22(11-7-20)24-27-15-3-16-28-24)2-14-26-19-21-8-12-23(13-9-21)25-29-17-4-18-30-25;1(5-20-6-10-22(11-7-20)27-17-3-15-25-27)2-14-24-19-21-8-12-23(13-9-21)28-18-4-16-26-28;1(3-20-4-8-22(9-5-20)27-15-13-25-18-27)2-12-24-17-21-6-10-23(11-7-21)28-16-14-26-19-28;1-19-8-10-20(11-9-19)6-2-4-16-24-18-21-12-14-22(15-13-21)23-7-3-5-17-25-23/h2*2-3,5-6,8-17,19-20,28H,1,4,7,18,21H2;3-4,6-13,15-18,26H,1-2,5,14,19H2;3-4,6-13,15-18,24H,1-2,5,14,19H2;4-11,13-16,18-19,24H,1-3,12,17H2;3,5,7-15,17,24H,2,4,6,16,18H2,1H3
InChIKeyBTNQCNAZCFCQPN-UHFFFAOYSA-N
XLogP30.07
TPSA259.47 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds53
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002256.03
LogP ≤ 530.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine (CID 157457536) is 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine is Cc1ccc(CCCCNCc2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2ccc(CCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1ccc(-c2ccc(CCCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1cn(-c2ccc(CCCCNCc3ccc(-n4ccnc4)cc3)cc2)cn1.c1cnc(-c2ccc(CCCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1.c1cnn(-c2ccc(CCCCNCc3ccc(-n4cccn4)cc3)cc2)c1.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine?
The InChIKey is BTNQCNAZCFCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H27N3.C25H25N5.2C23H25N5.C23H26N2/c2*1(7-22-10-14-24(15-11-22)26-8-2-5-19-29-26)4-18-28-21-23-12-16-25(17-13-23)27-9-3-6-20-30-27;1(5-20-6-10-22(11-7-20)24-27-15-3-16-28-24)2-14-26-19-21-8-12-23(13-9-21)25-29-17-4-18-30-25;1(5-20-6-10-22(11-7-20)27-17-3-15-25-27)2-14-24-19-21-8-12-23(13-9-21)28-18-4-16-26-28;1(3-20-4-8-22(9-5-20)27-15-13-25-18-27)2-12-24-17-21-6-10-23(11-7-21)28-16-14-26-19-28;1-19-8-10-20(11-9-19)6-2-4-16-24-18-21-12-14-22(15-13-21)23-7-3-5-17-25-23/h2*2-3,5-6,8-17,19-20,28H,1,4,7,18,21H2;3-4,6-13,15-18,26H,1-2,5,14,19H2;3-4,6-13,15-18,24H,1-2,5,14,19H2;4-11,13-16,18-19,24H,1-3,12,17H2;3,5,7-15,17,24H,2,4,6,16,18H2,1H3.
What are the key properties of 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine?
4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine has a molecular weight of 2256.03 g/mol, XLogP of 30.07, 53 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]butan-1-amine;4-(4-methylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine;4-(4-pyrazol-1-ylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine;bis(4-(4-pyridin-2-ylphenyl)-N-[(4-pyridin-2-ylphenyl)methyl]butan-1-amine);4-(4-pyrimidin-2-ylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 157457536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).