2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine

C25H23FN6O2 — CID 91412115

IUPAC2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1ccc(-c2nc3c(N)c(-c4ccc(-n5cnc(C)c5)c(OC)n4)ccc3n2C)c(F)c1
InChIInChI=1S/C25H23FN6O2/c1-14-12-32(13-28-14)21-10-8-19(29-25(21)34-4)17-7-9-20-23(22(17)27)30-24(31(20)2)16-6-5-15(33-3)11-18(16)26/h5-13H,27H2,1-4H3
InChIKeyQIKAXVBRKFTLAO-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.53
Rot. Bonds5

About 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine

2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (PubChem CID 91412115) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
PubChem CID91412115
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
SMILESCOc1ccc(-c2nc3c(N)c(-c4ccc(-n5cnc(C)c5)c(OC)n4)ccc3n2C)c(F)c1
InChIInChI=1S/C25H23FN6O2/c1-14-12-32(13-28-14)21-10-8-19(29-25(21)34-4)17-7-9-20-23(22(17)27)30-24(31(20)2)16-6-5-15(33-3)11-18(16)26/h5-13H,27H2,1-4H3
InChIKeyQIKAXVBRKFTLAO-UHFFFAOYSA-N
XLogP4.53
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
5-[(4-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10380992
8-[(5-methoxy-2-methylphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330121
7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538790
7-[2-(4-Methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76336478
1,8-Bis(2-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 127038170
8-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline
CID 127038511
8-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038512
1-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-4-ylimidazo[1,5-a]quinoxaline
CID 127038513
1-(6-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038868
1-(2-Fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
CID 127038869

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine (CID 91412115) is 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is COc1ccc(-c2nc3c(N)c(-c4ccc(-n5cnc(C)c5)c(OC)n4)ccc3n2C)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
The InChIKey is QIKAXVBRKFTLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-14-12-32(13-28-14)21-10-8-19(29-25(21)34-4)17-7-9-20-23(22(17)27)30-24(31(20)2)16-6-5-15(33-3)11-18(16)26/h5-13H,27H2,1-4H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine?
2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine has a molecular weight of 458.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-5-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 91412115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).