N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

C26H27FN8 — CID 15037499

IUPACN-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESFc1ccc(Cn2c(NC3CCN(CCNc4nc5ccncc5[nH]4)C3)nc3ccccc32)cc1
InChIInChI=1S/C26H27FN8/c27-19-7-5-18(6-8-19)16-35-24-4-2-1-3-22(24)33-26(35)30-20-10-13-34(17-20)14-12-29-25-31-21-9-11-28-15-23(21)32-25/h1-9,11,15,20H,10,12-14,16-17H2,(H,30,33)(H2,29,31,32)
InChIKeyMDGRHPQEGSAHKJ-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.09
Rot. Bonds8

About N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 15037499) has the molecular formula C26H27FN8 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID15037499
Molecular FormulaC26H27FN8
Molecular Weight470.56 g/mol
Exact Mass470.23
IUPAC NameN-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESFc1ccc(Cn2c(NC3CCN(CCNc4nc5ccncc5[nH]4)C3)nc3ccccc32)cc1
InChIInChI=1S/C26H27FN8/c27-19-7-5-18(6-8-19)16-35-24-4-2-1-3-22(24)33-26(35)30-20-10-13-34(17-20)14-12-29-25-31-21-9-11-28-15-23(21)32-25/h1-9,11,15,20H,10,12-14,16-17H2,(H,30,33)(H2,29,31,32)
InChIKeyMDGRHPQEGSAHKJ-UHFFFAOYSA-N
XLogP4.09
TPSA86.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 15037499) is N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is Fc1ccc(Cn2c(NC3CCN(CCNc4nc5ccncc5[nH]4)C3)nc3ccccc32)cc1.
What is the InChIKey of N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is MDGRHPQEGSAHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8/c27-19-7-5-18(6-8-19)16-35-24-4-2-1-3-22(24)33-26(35)30-20-10-13-34(17-20)14-12-29-25-31-21-9-11-28-15-23(21)32-25/h1-9,11,15,20H,10,12-14,16-17H2,(H,30,33)(H2,29,31,32).
What are the key properties of N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 470.56 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 15037499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).