4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C29H26FN5 — CID 126485277

IUPAC4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cccc(F)c1N(C)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H26FN5/c1-4-20-16-11-17-23(30)28(20)35(3)25-18-24-27(31-19-34(24)2)29(32-25)33-26(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-19H,4H2,1-3H3
InChIKeyRTPWEXFYGSENKF-UHFFFAOYSA-N
MW463.56 g/mol
LogP6.61
Rot. Bonds6

About 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 126485277) has the molecular formula C29H26FN5 and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID126485277
Molecular FormulaC29H26FN5
Molecular Weight463.56 g/mol
Exact Mass463.22
IUPAC Name4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cccc(F)c1N(C)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C29H26FN5/c1-4-20-16-11-17-23(30)28(20)35(3)25-18-24-27(31-19-34(24)2)29(32-25)33-26(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-19H,4H2,1-3H3
InChIKeyRTPWEXFYGSENKF-UHFFFAOYSA-N
XLogP6.61
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 126485277) is 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CCc1cccc(F)c1N(C)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is RTPWEXFYGSENKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5/c1-4-20-16-11-17-23(30)28(20)35(3)25-18-24-27(31-19-34(24)2)29(32-25)33-26(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-19H,4H2,1-3H3.
What are the key properties of 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 463.56 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)-N-(2-ethyl-6-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 126485277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).