(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone

C31H29N7O2 — CID 44527462

IUPAC(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone
SMILESCc1ccn2c(C(=O)N3CCN(c4cccc5c4nc(-c4ccoc4)n5Cc4ccccn4)CC3)c(C)nc2c1
InChIInChI=1S/C31H29N7O2/c1-21-9-12-37-27(18-21)33-22(2)29(37)31(39)36-15-13-35(14-16-36)25-7-5-8-26-28(25)34-30(23-10-17-40-20-23)38(26)19-24-6-3-4-11-32-24/h3-12,17-18,20H,13-16,19H2,1-2H3
InChIKeySFBMWVDHYNXSIG-UHFFFAOYSA-N
MW531.62 g/mol
LogP4.97
Rot. Bonds5

About (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone

(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone (PubChem CID 44527462) has the molecular formula C31H29N7O2 and a molecular weight of 531.62 g/mol. Its IUPAC name is (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone
PubChem CID44527462
Molecular FormulaC31H29N7O2
Molecular Weight531.62 g/mol
Exact Mass531.24
IUPAC Name(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone
SMILESCc1ccn2c(C(=O)N3CCN(c4cccc5c4nc(-c4ccoc4)n5Cc4ccccn4)CC3)c(C)nc2c1
InChIInChI=1S/C31H29N7O2/c1-21-9-12-37-27(18-21)33-22(2)29(37)31(39)36-15-13-35(14-16-36)25-7-5-8-26-28(25)34-30(23-10-17-40-20-23)38(26)19-24-6-3-4-11-32-24/h3-12,17-18,20H,13-16,19H2,1-2H3
InChIKeySFBMWVDHYNXSIG-UHFFFAOYSA-N
XLogP4.97
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone (CID 44527462) is (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone is Cc1ccn2c(C(=O)N3CCN(c4cccc5c4nc(-c4ccoc4)n5Cc4ccccn4)CC3)c(C)nc2c1.
What is the InChIKey of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone?
The InChIKey is SFBMWVDHYNXSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7O2/c1-21-9-12-37-27(18-21)33-22(2)29(37)31(39)36-15-13-35(14-16-36)25-7-5-8-26-28(25)34-30(23-10-17-40-20-23)38(26)19-24-6-3-4-11-32-24/h3-12,17-18,20H,13-16,19H2,1-2H3.
What are the key properties of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone?
(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone has a molecular weight of 531.62 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-[2-(furan-3-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 44527462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).