2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine

C24H18ClN3O2 — CID 44530372

IUPAC2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine
SMILESClc1ccc(OCc2ccccc2)c(Cc2ccc(-c3nc4ccncc4[nH]3)o2)c1
InChIInChI=1S/C24H18ClN3O2/c25-18-6-8-22(29-15-16-4-2-1-3-5-16)17(12-18)13-19-7-9-23(30-19)24-27-20-10-11-26-14-21(20)28-24/h1-12,14H,13,15H2,(H,27,28)
InChIKeyRXJWTTHLBVPHJO-UHFFFAOYSA-N
MW415.88 g/mol
LogP6.04
Rot. Bonds6

About 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine

2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 44530372) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine
PubChem CID44530372
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine
SMILESClc1ccc(OCc2ccccc2)c(Cc2ccc(-c3nc4ccncc4[nH]3)o2)c1
InChIInChI=1S/C24H18ClN3O2/c25-18-6-8-22(29-15-16-4-2-1-3-5-16)17(12-18)13-19-7-9-23(30-19)24-27-20-10-11-26-14-21(20)28-24/h1-12,14H,13,15H2,(H,27,28)
InChIKeyRXJWTTHLBVPHJO-UHFFFAOYSA-N
XLogP6.04
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine (CID 44530372) is 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine is Clc1ccc(OCc2ccccc2)c(Cc2ccc(-c3nc4ccncc4[nH]3)o2)c1.
What is the InChIKey of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is RXJWTTHLBVPHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c25-18-6-8-22(29-15-16-4-2-1-3-5-16)17(12-18)13-19-7-9-23(30-19)24-27-20-10-11-26-14-21(20)28-24/h1-12,14H,13,15H2,(H,27,28).
What are the key properties of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine?
2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 415.88 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 44530372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).